2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine

C14H22N4O2S — CID 80960820

IUPAC2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCS(=O)(=O)CC2)nc(C2CC2)n1
InChIInChI=1S/C14H22N4O2S/c1-2-15-12-9-13(18-14(17-12)10-3-4-10)16-11-5-7-21(19,20)8-6-11/h9-11H,2-8H2,1H3,(H2,15,16,17,18)
InChIKeyVCKJODRYLYDOKB-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.77
Rot. Bonds5

About 2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 80960820) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine
PubChem CID80960820
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCS(=O)(=O)CC2)nc(C2CC2)n1
InChIInChI=1S/C14H22N4O2S/c1-2-15-12-9-13(18-14(17-12)10-3-4-10)16-11-5-7-21(19,20)8-6-11/h9-11H,2-8H2,1H3,(H2,15,16,17,18)
InChIKeyVCKJODRYLYDOKB-UHFFFAOYSA-N
XLogP1.77
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-(1,1-dioxothian-4-yl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934204
2-cyclopropyl-6-N-ethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80968126
4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine
CID 80789316
4-N-(1,1-dioxothiolan-3-yl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770460
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80766375
2-tert-butyl-4-N-(1,1-dioxothian-4-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80960819
2-cyclopropyl-6-N-ethyl-4-N-(2-methylcycloheptyl)pyrimidine-4,6-diamine
CID 80959481
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343137
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 80959483
2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815
4-N-(cyclobutylmethyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80968066
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide
CID 80966811

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine (CID 80960820) is 2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(NC2CCS(=O)(=O)CC2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is VCKJODRYLYDOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-2-15-12-9-13(18-14(17-12)10-3-4-10)16-11-5-7-21(19,20)8-6-11/h9-11H,2-8H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 310.42 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80960820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).