2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one

C19H20ClN3O2 — CID 11501327

IUPAC2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCOc1cccc(-c2cc(C3(C)CC(=O)N(C)C(N)=N3)ccc2Cl)c1
InChIInChI=1S/C19H20ClN3O2/c1-19(11-17(24)23(2)18(21)22-19)13-7-8-16(20)15(10-13)12-5-4-6-14(9-12)25-3/h4-10H,11H2,1-3H3,(H2,21,22)
InChIKeyRGSBNDNHOJSTQK-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.41
Rot. Bonds3

About 2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one

2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 11501327) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID11501327
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCOc1cccc(-c2cc(C3(C)CC(=O)N(C)C(N)=N3)ccc2Cl)c1
InChIInChI=1S/C19H20ClN3O2/c1-19(11-17(24)23(2)18(21)22-19)13-7-8-16(20)15(10-13)12-5-4-6-14(9-12)25-3/h4-10H,11H2,1-3H3,(H2,21,22)
InChIKeyRGSBNDNHOJSTQK-UHFFFAOYSA-N
XLogP3.41
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11594966
(6S)-2-amino-6-[4-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59262406
(6S)-2-amino-6-[4-(3-methoxyphenyl)furan-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388414
2-amino-6-[3-(3-methoxy-5-methylsulfanyloxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 143493653
(6S)-2-amino-6-[5-(3-methoxyphenyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387253
(6S)-2-amino-6-[3-(2-chloro-4-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388821
(6S)-2-amino-6-[3-(2,1,3-benzoxadiazol-5-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3,4-dichlorophenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[5-(3-methoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 158204096
2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 23731035
(6S)-2-amino-3,6-dimethyl-6-[3-(3-pyrrolidin-1-ylphenyl)phenyl]-5H-pyrimidin-4-one
CID 59388911
(6S)-2-amino-3,6-dimethyl-6-[4-(3-propan-2-yloxyphenyl)thiophen-2-yl]-5H-pyrimidin-4-one
CID 59388228
(6S)-2-amino-6-(2-chlorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388038
(6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one
CID 59386916

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 11501327) is 2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one is COc1cccc(-c2cc(C3(C)CC(=O)N(C)C(N)=N3)ccc2Cl)c1.
What is the InChIKey of 2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is RGSBNDNHOJSTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-19(11-17(24)23(2)18(21)22-19)13-7-8-16(20)15(10-13)12-5-4-6-14(9-12)25-3/h4-10H,11H2,1-3H3,(H2,21,22).
What are the key properties of 2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one?
2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 357.84 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-chloro-3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 11501327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).