4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine

C18H17N3OS — CID 19149920

IUPAC4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(Sc3ccc(C)cc3)c2N)cc1
InChIInChI=1S/C18H17N3OS/c1-12-3-7-14(8-4-12)22-17-16(19)18(21-11-20-17)23-15-9-5-13(2)6-10-15/h3-11H,19H2,1-2H3
InChIKeyKIZSSWJKPOKJKE-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.62
Rot. Bonds4

About 4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine

4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine (PubChem CID 19149920) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
PubChem CID19149920
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(Sc3ccc(C)cc3)c2N)cc1
InChIInChI=1S/C18H17N3OS/c1-12-3-7-14(8-4-12)22-17-16(19)18(21-11-20-17)23-15-9-5-13(2)6-10-15/h3-11H,19H2,1-2H3
InChIKeyKIZSSWJKPOKJKE-UHFFFAOYSA-N
XLogP4.62
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)sulfanyl-6-(4-methylphenoxy)pyrimidin-5-amine
CID 19136635
4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19136685
4-ethoxy-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149917
4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine
CID 19149780
4-hydrazinyl-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149890
4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine
CID 19136647
4-N-ethyl-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19135261
6-(4-methylphenyl)sulfanyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5-diamine
CID 19149943
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137368
4-N-(2,4-dimethoxyphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19142877
4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 22540861
5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879504

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
The IUPAC name of 4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine (CID 19149920) is 4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
The canonical SMILES for 4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine is Cc1ccc(Oc2ncnc(Sc3ccc(C)cc3)c2N)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
The InChIKey is KIZSSWJKPOKJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-3-7-14(8-4-12)22-17-16(19)18(21-11-20-17)23-15-9-5-13(2)6-10-15/h3-11H,19H2,1-2H3.
What are the key properties of 4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine?
4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine has a molecular weight of 323.42 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine is sourced from PubChem (CID 19149920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).