4-N,2,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine

C11H20N4S — CID 112667940

IUPAC4-N,2,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCSCC(C)N(C)c1nc(C)nc(N)c1C
InChIInChI=1S/C11H20N4S/c1-7(6-16-5)15(4)11-8(2)10(12)13-9(3)14-11/h7H,6H2,1-5H3,(H2,12,13,14)
InChIKeyAIGPKMLIIBHHSH-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.86
Rot. Bonds4

About 4-N,2,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine

4-N,2,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine (PubChem CID 112667940) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 4-N,2,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,2,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine
PubChem CID112667940
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name4-N,2,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine
SMILESCSCC(C)N(C)c1nc(C)nc(N)c1C
InChIInChI=1S/C11H20N4S/c1-7(6-16-5)15(4)11-8(2)10(12)13-9(3)14-11/h7H,6H2,1-5H3,(H2,12,13,14)
InChIKeyAIGPKMLIIBHHSH-UHFFFAOYSA-N
XLogP1.86
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-N,5-dimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine
CID 112667867
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 113426551
4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80993583
5,6-dimethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbothioamide
CID 112659783
4-N-(1-ethylpiperidin-4-yl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80821340
4-N-(cyclopropylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80798139
4-N-(4-ethylphenyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80817498
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104553285
4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80838815
4-N-cyclopentyl-2,5-dimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80854611
2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine
CID 112667942
2-tert-butyl-4-N,5-dimethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80993344

Frequently Asked Questions

What is the IUPAC name of 4-N,2,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,2,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine (CID 112667940) is 4-N,2,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,2,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,2,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine is CSCC(C)N(C)c1nc(C)nc(N)c1C.
What is the InChIKey of 4-N,2,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is AIGPKMLIIBHHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-7(6-16-5)15(4)11-8(2)10(12)13-9(3)14-11/h7H,6H2,1-5H3,(H2,12,13,14).
What are the key properties of 4-N,2,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine?
4-N,2,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 240.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112667940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).