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

C11H18N4O2S — CID 80959909

IUPAC2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
SMILESCN(CCS(C)(=O)=O)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C11H18N4O2S/c1-15(5-6-18(2,16)17)10-7-9(12)13-11(14-10)8-3-4-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyCXPREWUKDMFUIC-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.42
Rot. Bonds5

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

2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine (PubChem CID 80959909) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
PubChem CID80959909
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
SMILESCN(CCS(C)(=O)=O)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C11H18N4O2S/c1-15(5-6-18(2,16)17)10-7-9(12)13-11(14-10)8-3-4-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyCXPREWUKDMFUIC-UHFFFAOYSA-N
XLogP0.42
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80956522
2-tert-butyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80960082
2-cyclopropyl-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80955502
3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80958777
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80960605
4-N-[(3-chlorophenyl)methyl]-2-cyclopropyl-4-N-methylpyrimidine-4,6-diamine
CID 80960822
4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 78930007
2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80967434
6-N-methyl-6-N-(2-methylsulfonylethyl)-4-nitropyridine-2,6-diamine
CID 114071220
2-cyclopropyl-6-hydrazinyl-N,5-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 81005920
2-cyclopropyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80959527
2-cyclopropyl-4-N-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80967612

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine (CID 80959909) is 2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine is CN(CCS(C)(=O)=O)c1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
The InChIKey is CXPREWUKDMFUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-15(5-6-18(2,16)17)10-7-9(12)13-11(14-10)8-3-4-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine has a molecular weight of 270.36 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80959909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).