4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine

C11H20N4S — CID 115744810

IUPAC4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCSCCC(C)N(C)c1cc(C)nc(N)n1
InChIInChI=1S/C11H20N4S/c1-8-7-10(14-11(12)13-8)15(3)9(2)5-6-16-4/h7,9H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyMHSHNLKIKYAHFV-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.95
Rot. Bonds5

About 4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine

4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine (PubChem CID 115744810) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
PubChem CID115744810
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCSCCC(C)N(C)c1cc(C)nc(N)n1
InChIInChI=1S/C11H20N4S/c1-8-7-10(14-11(12)13-8)15(3)9(2)5-6-16-4/h7,9H,5-6H2,1-4H3,(H2,12,13,14)
InChIKeyMHSHNLKIKYAHFV-UHFFFAOYSA-N
XLogP1.95
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2,6-trimethyl-N-[(2S)-4-methylsulfanylbutan-2-yl]pyrimidin-4-amine
CID 97325462
N'-hydroxy-2-methyl-6-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboximidamide
CID 137013656
4-N-ethyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 80776362
6-hydrazinyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine
CID 112668103
6-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768420
N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyridin-4-amine
CID 133492168
[5-[methyl(4-methylsulfanylbutan-2-yl)amino]pyrazin-2-yl]methanol
CID 107372975
4-methyl-6-(3-methylbutylsulfanyl)pyrimidin-2-amine
CID 107766010
N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine
CID 133403717
N-methyl-5-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyrazin-2-amine
CID 107380932
6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80849194
5-N-methyl-5-N-(4-methylsulfanylbutan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349822

Frequently Asked Questions

What is the IUPAC name of 4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine (CID 115744810) is 4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine is CSCCC(C)N(C)c1cc(C)nc(N)n1.
What is the InChIKey of 4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is MHSHNLKIKYAHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-8-7-10(14-11(12)13-8)15(3)9(2)5-6-16-4/h7,9H,5-6H2,1-4H3,(H2,12,13,14).
What are the key properties of 4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine?
4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 240.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-dimethyl-4-N-(4-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 115744810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).