N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine

C15H19N3O2S — CID 171324265

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCOc1ccc(CN(C)c2ccnc(SC)n2)cc1OC
InChIInChI=1S/C15H19N3O2S/c1-18(14-7-8-16-15(17-14)21-4)10-11-5-6-12(19-2)13(9-11)20-3/h5-9H,10H2,1-4H3
InChIKeyOTLDFDWGPWUSEE-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.85
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 171324265) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID171324265
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCOc1ccc(CN(C)c2ccnc(SC)n2)cc1OC
InChIInChI=1S/C15H19N3O2S/c1-18(14-7-8-16-15(17-14)21-4)10-11-5-6-12(19-2)13(9-11)20-3/h5-9H,10H2,1-4H3
InChIKeyOTLDFDWGPWUSEE-UHFFFAOYSA-N
XLogP2.85
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 171324251
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 171324276
N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 154730251
N-(6-chloro-2-pyridinyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 86231964
2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 171324254
N-[(3,4-dimethoxyphenyl)methyl]-N,4,6,8-tetramethylquinolin-2-amine
CID 8934386
2-methoxy-5-[[methyl-(6-methyl-2-pyridinyl)amino]methyl]phenol
CID 91651296
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133
N-[(3,4-dimethoxyphenyl)methyl]-6-fluoro-N-methyl-1,3-benzoxazol-2-amine
CID 171323965
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 18111604
6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 112724532
2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine
CID 75431201

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 171324265) is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine is COc1ccc(CN(C)c2ccnc(SC)n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is OTLDFDWGPWUSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18(14-7-8-16-15(17-14)21-4)10-11-5-6-12(19-2)13(9-11)20-3/h5-9H,10H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 305.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 171324265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).