4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine

C11H19N3OS — CID 115633959

IUPAC4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCCC(C)SC)n1
InChIInChI=1S/C11H19N3OS/c1-8-7-10(15-3)14-11(13-8)12-6-5-9(2)16-4/h7,9H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyRSRBGVWLRIFMEB-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.35
Rot. Bonds6

About 4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine

4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine (PubChem CID 115633959) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine
PubChem CID115633959
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCCC(C)SC)n1
InChIInChI=1S/C11H19N3OS/c1-8-7-10(15-3)14-11(13-8)12-6-5-9(2)16-4/h7,9H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyRSRBGVWLRIFMEB-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-(4-methoxy-6-methylpyrimidin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 112691667
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylpropan-1-ol
CID 112691802
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 112691022
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
1-N-(4,6-dimethoxypyrimidin-2-yl)pentane-1,4-diamine
CID 106127490
4,6-dimethyl-N-(2-methylsulfanylpropyl)pyrimidin-2-amine
CID 115774265
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 113239917
4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
CID 112637746
4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
CID 112636843
N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 166233772

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine (CID 115633959) is 4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine is COc1cc(C)nc(NCCC(C)SC)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine?
The InChIKey is RSRBGVWLRIFMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-7-10(15-3)14-11(13-8)12-6-5-9(2)16-4/h7,9H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of 4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)pyrimidin-2-amine?
4-methoxy-6-methyl-N-(3-methylsulfanylbutyl)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-(3-methylsulfanylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 115633959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).