4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine

C11H19N3OS — CID 115899319

IUPAC4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine
SMILESCCC(CSC)Nc1nc(C)cc(OC)n1
InChIInChI=1S/C11H19N3OS/c1-5-9(7-16-4)13-11-12-8(2)6-10(14-11)15-3/h6,9H,5,7H2,1-4H3,(H,12,13,14)
InChIKeySNNKXIUTXZEVDQ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.35
Rot. Bonds6

About 4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine

4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine (PubChem CID 115899319) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine
PubChem CID115899319
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine
SMILESCCC(CSC)Nc1nc(C)cc(OC)n1
InChIInChI=1S/C11H19N3OS/c1-5-9(7-16-4)13-11-12-8(2)6-10(14-11)15-3/h6,9H,5,7H2,1-4H3,(H,12,13,14)
InChIKeySNNKXIUTXZEVDQ-UHFFFAOYSA-N
XLogP2.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637434
N-(1-cyclopropylbutan-2-yl)-4,6-dimethoxypyrimidin-2-amine
CID 113292957
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 113239917
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 112638162
N-(dicyclopropylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112691713
3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 113495849
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
CID 112691748
4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine
CID 115633959
N-[1-(furan-2-yl)ethyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112691697
3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol
CID 114156370
4-methoxy-6-methyl-N-(4-methylsulfinylbutan-2-yl)pyrimidin-2-amine
CID 115669300
N-(2-ethylhexyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 107816517

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine (CID 115899319) is 4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine is CCC(CSC)Nc1nc(C)cc(OC)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine?
The InChIKey is SNNKXIUTXZEVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-5-9(7-16-4)13-11-12-8(2)6-10(14-11)15-3/h6,9H,5,7H2,1-4H3,(H,12,13,14).
What are the key properties of 4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine?
4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine has a molecular weight of 241.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-(1-methylsulfanylbutan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 115899319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).