6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine

C13H15N3OS — CID 80882227

IUPAC6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(Sc2ccc(OC)cc2)c1C
InChIInChI=1S/C13H15N3OS/c1-9-12(14-2)15-8-16-13(9)18-11-6-4-10(17-3)5-7-11/h4-8H,1-3H3,(H,14,15,16)
InChIKeyDYPXSKRQQCWEAX-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.99
Rot. Bonds4

About 6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine

6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80882227) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80882227
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(Sc2ccc(OC)cc2)c1C
InChIInChI=1S/C13H15N3OS/c1-9-12(14-2)15-8-16-13(9)18-11-6-4-10(17-3)5-7-11/h4-8H,1-3H3,(H,14,15,16)
InChIKeyDYPXSKRQQCWEAX-UHFFFAOYSA-N
XLogP2.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-6-(4-nitrophenyl)sulfanylpyrimidin-4-amine
CID 80883862
6-(3-chlorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80891996
N,5-dimethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80886105
6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19136592
N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894498
N,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892356
4-N-(2,5-dimethoxyphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80769342
4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19142877
N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine
CID 80882858
4-(4-methoxyphenyl)sulfanyl-5-methylpyrimidin-2-amine
CID 80883561
4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 39742965
4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19136685

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine (CID 80882227) is 6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine is CNc1ncnc(Sc2ccc(OC)cc2)c1C.
What is the InChIKey of 6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is DYPXSKRQQCWEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-12(14-2)15-8-16-13(9)18-11-6-4-10(17-3)5-7-11/h4-8H,1-3H3,(H,14,15,16).
What are the key properties of 6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine?
6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 261.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80882227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).