2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine

C11H18N4O2S — CID 80967531

IUPAC2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCCS(C)(=O)=O)nc(C2CC2)n1
InChIInChI=1S/C11H18N4O2S/c1-12-9-7-10(13-5-6-18(2,16)17)15-11(14-9)8-3-4-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyPKQZKVZTGKDBND-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.85
Rot. Bonds6

About 2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine

2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine (PubChem CID 80967531) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
PubChem CID80967531
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCCS(C)(=O)=O)nc(C2CC2)n1
InChIInChI=1S/C11H18N4O2S/c1-12-9-7-10(13-5-6-18(2,16)17)15-11(14-9)8-3-4-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyPKQZKVZTGKDBND-UHFFFAOYSA-N
XLogP0.85
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-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

2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343137
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343157
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 114176051
4-N-(2-butoxyethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80957513
5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241630
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067
N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80967424
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341124
4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80967316
2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955816
1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967408
5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106163235

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine (CID 80967531) is 2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine is CNc1cc(NCCS(C)(=O)=O)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
The InChIKey is PKQZKVZTGKDBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-12-9-7-10(13-5-6-18(2,16)17)15-11(14-9)8-3-4-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine has a molecular weight of 270.36 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80967531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).