2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine

C13H22N4S — CID 80985077

IUPAC2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
SMILESCSCC(C)CNc1nc(C2CC2)nc(N)c1C
InChIInChI=1S/C13H22N4S/c1-8(7-18-3)6-15-12-9(2)11(14)16-13(17-12)10-4-5-10/h8,10H,4-7H2,1-3H3,(H3,14,15,16,17)
InChIKeyPZIPBLVPQYLBBQ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.66
Rot. Bonds6

About 2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine

2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine (PubChem CID 80985077) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
PubChem CID80985077
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
SMILESCSCC(C)CNc1nc(C2CC2)nc(N)c1C
InChIInChI=1S/C13H22N4S/c1-8(7-18-3)6-15-12-9(2)11(14)16-13(17-12)10-4-5-10/h8,10H,4-7H2,1-3H3,(H3,14,15,16,17)
InChIKeyPZIPBLVPQYLBBQ-UHFFFAOYSA-N
XLogP2.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 102701899
2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 104592555
4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80980857
3-[[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80992823
2-cyclopropyl-5-methyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80984520
2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985256
4-N-(1-cyclopentylethyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80983559
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
2-cyclopropyl-4-N-(3-methoxy-2-methylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80984401
2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine
CID 80981871
N-[2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80993649
6-ethyl-5-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 65402392

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine (CID 80985077) is 2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine is CSCC(C)CNc1nc(C2CC2)nc(N)c1C.
What is the InChIKey of 2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine?
The InChIKey is PZIPBLVPQYLBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-8(7-18-3)6-15-12-9(2)11(14)16-13(17-12)10-4-5-10/h8,10H,4-7H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine?
2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine has a molecular weight of 266.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80985077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).