6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine

C14H16ClN3OS — CID 112724532

IUPAC6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCOc1cccc(CN(C)c2cc(Cl)nc(SC)n2)c1
InChIInChI=1S/C14H16ClN3OS/c1-18(9-10-5-4-6-11(7-10)19-2)13-8-12(15)16-14(17-13)20-3/h4-8H,9H2,1-3H3
InChIKeyKQCPTMMMHHUAIG-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.50
Rot. Bonds5

About 6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine

6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 112724532) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID112724532
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCOc1cccc(CN(C)c2cc(Cl)nc(SC)n2)c1
InChIInChI=1S/C14H16ClN3OS/c1-18(9-10-5-4-6-11(7-10)19-2)13-8-12(15)16-14(17-13)20-3/h4-8H,9H2,1-3H3
InChIKeyKQCPTMMMHHUAIG-UHFFFAOYSA-N
XLogP3.50
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-[(3-methoxyphenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 61417811
4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80794623
6-chloro-N-methyl-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 80547048
6-bromo-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 63962800
6-chloro-N-(3-methoxypropyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80546845
4-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418126
methyl 2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)-methylamino]acetate
CID 3321692
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794833
N-[(3-methoxyphenyl)methyl]-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 171690653
5-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80628764
5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-2-amine
CID 171328588

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 112724532) is 6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine is COc1cccc(CN(C)c2cc(Cl)nc(SC)n2)c1.
What is the InChIKey of 6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is KQCPTMMMHHUAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-18(9-10-5-4-6-11(7-10)19-2)13-8-12(15)16-14(17-13)20-3/h4-8H,9H2,1-3H3.
What are the key properties of 6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 309.82 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 112724532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).