4-chloro-2,6-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethoxy-5-propan-2-yl-1H-pyrimidin-6-one;3-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)quinoline;(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) trifluoromethanesulfonate;1-ethyl-5-propan-2-yl-6-quinolin-3-ylpyrimidine-2,4-dione;5-propan-2-yl-6-quinolin-3-yl-1H-pyrimidine-2,4-dione

C80H93ClF3N15O16S — CID 160787609

IUPAC4-chloro-2,6-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethoxy-5-propan-2-yl-1H-pyrimidin-6-one;3-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)quinoline;(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) trifluoromethanesulfonate;1-ethyl-5-propan-2-yl-6-quinolin-3-ylpyrimidine-2,4-dione;5-propan-2-yl-6-quinolin-3-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)c1c(-c2cnc3ccccc3c2)[nH]c(=O)[nH]c1=O.CCn1c(-c2cnc3ccccc3c2)c(C(C)C)c(=O)[nH]c1=O.COc1nc(Cl)c(C(C)C)c(OC)n1.COc1nc(OC)c(C(C)C)c(-c2cnc3ccccc3c2)n1.COc1nc(OC)c(C(C)C)c(=O)[nH]1.COc1nc(OC)c(C(C)C)c(OS(=O)(=O)C(F)(F)F)n1
InChIInChI=1S/2C18H19N3O2.C16H15N3O2.C10H13F3N2O5S.C9H13ClN2O2.C9H14N2O3/c1-11(2)15-16(20-18(23-4)21-17(15)22-3)13-9-12-7-5-6-8-14(12)19-10-13;1-4-21-16(15(11(2)3)17(22)20-18(21)23)13-9-12-7-5-6-8-14(12)19-10-13;1-9(2)13-14(18-16(21)19-15(13)20)11-7-10-5-3-4-6-12(10)17-8-11;1-5(2)6-7(18-3)14-9(19-4)15-8(6)20-21(16,17)10(11,12)13;1-5(2)6-7(10)11-9(14-4)12-8(6)13-3;1-5(2)6-7(12)10-9(14-4)11-8(6)13-3/h5-11H,1-4H3;5-11H,4H2,1-3H3,(H,20,22,23);3-9H,1-2H3,(H2,18,19,20,21);5H,1-4H3;5H,1-4H3;5H,1-4H3,(H,10,11,12)
InChIKeySBKKJDOYDQKWOQ-UHFFFAOYSA-N
MW1645.23 g/mol
LogP14.16
Rot. Bonds20

About 4-chloro-2,6-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethoxy-5-propan-2-yl-1H-pyrimidin-6-one;3-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)quinoline;(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) trifluoromethanesulfonate;1-ethyl-5-propan-2-yl-6-quinolin-3-ylpyrimidine-2,4-dione;5-propan-2-yl-6-quinolin-3-yl-1H-pyrimidine-2,4-dione

4-chloro-2,6-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethoxy-5-propan-2-yl-1H-pyrimidin-6-one;3-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)quinoline;(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) trifluoromethanesulfonate;1-ethyl-5-propan-2-yl-6-quinolin-3-ylpyrimidine-2,4-dione;5-propan-2-yl-6-quinolin-3-yl-1H-pyrimidine-2,4-dione (PubChem CID 160787609) has the molecular formula C80H93ClF3N15O16S and a molecular weight of 1645.23 g/mol. Its IUPAC name is 4-chloro-2,6-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethoxy-5-propan-2-yl-1H-pyrimidin-6-one;3-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)quinoline;(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) trifluoromethanesulfonate;1-ethyl-5-propan-2-yl-6-quinolin-3-ylpyrimidine-2,4-dione;5-propan-2-yl-6-quinolin-3-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name4-chloro-2,6-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethoxy-5-propan-2-yl-1H-pyrimidin-6-one;3-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)quinoline;(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) trifluoromethanesulfonate;1-ethyl-5-propan-2-yl-6-quinolin-3-ylpyrimidine-2,4-dione;5-propan-2-yl-6-quinolin-3-yl-1H-pyrimidine-2,4-dione
PubChem CID160787609
Molecular FormulaC80H93ClF3N15O16S
Molecular Weight1645.23 g/mol
Exact Mass1643.63
IUPAC Name4-chloro-2,6-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethoxy-5-propan-2-yl-1H-pyrimidin-6-one;3-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)quinoline;(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) trifluoromethanesulfonate;1-ethyl-5-propan-2-yl-6-quinolin-3-ylpyrimidine-2,4-dione;5-propan-2-yl-6-quinolin-3-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)c1c(-c2cnc3ccccc3c2)[nH]c(=O)[nH]c1=O.CCn1c(-c2cnc3ccccc3c2)c(C(C)C)c(=O)[nH]c1=O.COc1nc(Cl)c(C(C)C)c(OC)n1.COc1nc(OC)c(C(C)C)c(-c2cnc3ccccc3c2)n1.COc1nc(OC)c(C(C)C)c(=O)[nH]1.COc1nc(OC)c(C(C)C)c(OS(=O)(=O)C(F)(F)F)n1
InChIInChI=1S/2C18H19N3O2.C16H15N3O2.C10H13F3N2O5S.C9H13ClN2O2.C9H14N2O3/c1-11(2)15-16(20-18(23-4)21-17(15)22-3)13-9-12-7-5-6-8-14(12)19-10-13;1-4-21-16(15(11(2)3)17(22)20-18(21)23)13-9-12-7-5-6-8-14(12)19-10-13;1-9(2)13-14(18-16(21)19-15(13)20)11-7-10-5-3-4-6-12(10)17-8-11;1-5(2)6-7(18-3)14-9(19-4)15-8(6)20-21(16,17)10(11,12)13;1-5(2)6-7(10)11-9(14-4)12-8(6)13-3;1-5(2)6-7(12)10-9(14-4)11-8(6)13-3/h5-11H,1-4H3;5-11H,4H2,1-3H3,(H,20,22,23);3-9H,1-2H3,(H2,18,19,20,21);5H,1-4H3;5H,1-4H3;5H,1-4H3,(H,10,11,12)
InChIKeySBKKJDOYDQKWOQ-UHFFFAOYSA-N
XLogP14.16
TPSA399.55 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001645.23
LogP ≤ 514.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 4-chloro-2,6-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethoxy-5-propan-2-yl-1H-pyrimidin-6-one;3-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)quinoline;(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) trifluoromethanesulfonate;1-ethyl-5-propan-2-yl-6-quinolin-3-ylpyrimidine-2,4-dione;5-propan-2-yl-6-quinolin-3-yl-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethoxy-5-propan-2-yl-1H-pyrimidin-6-one;3-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)quinoline;(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) trifluoromethanesulfonate;1-ethyl-5-propan-2-yl-6-quinolin-3-ylpyrimidine-2,4-dione;5-propan-2-yl-6-quinolin-3-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 4-chloro-2,6-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethoxy-5-propan-2-yl-1H-pyrimidin-6-one;3-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)quinoline;(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) trifluoromethanesulfonate;1-ethyl-5-propan-2-yl-6-quinolin-3-ylpyrimidine-2,4-dione;5-propan-2-yl-6-quinolin-3-yl-1H-pyrimidine-2,4-dione (CID 160787609) is 4-chloro-2,6-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethoxy-5-propan-2-yl-1H-pyrimidin-6-one;3-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)quinoline;(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) trifluoromethanesulfonate;1-ethyl-5-propan-2-yl-6-quinolin-3-ylpyrimidine-2,4-dione;5-propan-2-yl-6-quinolin-3-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 4-chloro-2,6-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethoxy-5-propan-2-yl-1H-pyrimidin-6-one;3-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)quinoline;(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) trifluoromethanesulfonate;1-ethyl-5-propan-2-yl-6-quinolin-3-ylpyrimidine-2,4-dione;5-propan-2-yl-6-quinolin-3-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 4-chloro-2,6-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethoxy-5-propan-2-yl-1H-pyrimidin-6-one;3-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)quinoline;(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) trifluoromethanesulfonate;1-ethyl-5-propan-2-yl-6-quinolin-3-ylpyrimidine-2,4-dione;5-propan-2-yl-6-quinolin-3-yl-1H-pyrimidine-2,4-dione is CC(C)c1c(-c2cnc3ccccc3c2)[nH]c(=O)[nH]c1=O.CCn1c(-c2cnc3ccccc3c2)c(C(C)C)c(=O)[nH]c1=O.COc1nc(Cl)c(C(C)C)c(OC)n1.COc1nc(OC)c(C(C)C)c(-c2cnc3ccccc3c2)n1.COc1nc(OC)c(C(C)C)c(=O)[nH]1.COc1nc(OC)c(C(C)C)c(OS(=O)(=O)C(F)(F)F)n1.
What is the InChIKey of 4-chloro-2,6-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethoxy-5-propan-2-yl-1H-pyrimidin-6-one;3-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)quinoline;(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) trifluoromethanesulfonate;1-ethyl-5-propan-2-yl-6-quinolin-3-ylpyrimidine-2,4-dione;5-propan-2-yl-6-quinolin-3-yl-1H-pyrimidine-2,4-dione?
The InChIKey is SBKKJDOYDQKWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H19N3O2.C16H15N3O2.C10H13F3N2O5S.C9H13ClN2O2.C9H14N2O3/c1-11(2)15-16(20-18(23-4)21-17(15)22-3)13-9-12-7-5-6-8-14(12)19-10-13;1-4-21-16(15(11(2)3)17(22)20-18(21)23)13-9-12-7-5-6-8-14(12)19-10-13;1-9(2)13-14(18-16(21)19-15(13)20)11-7-10-5-3-4-6-12(10)17-8-11;1-5(2)6-7(18-3)14-9(19-4)15-8(6)20-21(16,17)10(11,12)13;1-5(2)6-7(10)11-9(14-4)12-8(6)13-3;1-5(2)6-7(12)10-9(14-4)11-8(6)13-3/h5-11H,1-4H3;5-11H,4H2,1-3H3,(H,20,22,23);3-9H,1-2H3,(H2,18,19,20,21);5H,1-4H3;5H,1-4H3;5H,1-4H3,(H,10,11,12).
What are the key properties of 4-chloro-2,6-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethoxy-5-propan-2-yl-1H-pyrimidin-6-one;3-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)quinoline;(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) trifluoromethanesulfonate;1-ethyl-5-propan-2-yl-6-quinolin-3-ylpyrimidine-2,4-dione;5-propan-2-yl-6-quinolin-3-yl-1H-pyrimidine-2,4-dione?
4-chloro-2,6-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethoxy-5-propan-2-yl-1H-pyrimidin-6-one;3-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)quinoline;(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) trifluoromethanesulfonate;1-ethyl-5-propan-2-yl-6-quinolin-3-ylpyrimidine-2,4-dione;5-propan-2-yl-6-quinolin-3-yl-1H-pyrimidine-2,4-dione has a molecular weight of 1645.23 g/mol, XLogP of 14.16, 20 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethoxy-5-propan-2-ylpyrimidine;2,4-dimethoxy-5-propan-2-yl-1H-pyrimidin-6-one;3-(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl)quinoline;(2,6-dimethoxy-5-propan-2-ylpyrimidin-4-yl) trifluoromethanesulfonate;1-ethyl-5-propan-2-yl-6-quinolin-3-ylpyrimidine-2,4-dione;5-propan-2-yl-6-quinolin-3-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 160787609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).