4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine

C15H11ClN4OS — CID 19136647

IUPAC4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine
SMILESNc1c(Oc2cccnc2)ncnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN4OS/c16-10-3-5-12(6-4-10)22-15-13(17)14(19-9-20-15)21-11-2-1-7-18-8-11/h1-9H,17H2
InChIKeyKOQBZKMKWHFXBE-UHFFFAOYSA-N
MW330.80 g/mol
LogP4.05
Rot. Bonds4

About 4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine

4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine (PubChem CID 19136647) has the molecular formula C15H11ClN4OS and a molecular weight of 330.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine
PubChem CID19136647
Molecular FormulaC15H11ClN4OS
Molecular Weight330.80 g/mol
Exact Mass330.03
IUPAC Name4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine
SMILESNc1c(Oc2cccnc2)ncnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN4OS/c16-10-3-5-12(6-4-10)22-15-13(17)14(19-9-20-15)21-11-2-1-7-18-8-11/h1-9H,17H2
InChIKeyKOQBZKMKWHFXBE-UHFFFAOYSA-N
XLogP4.05
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(4-methylphenoxy)-6-(4-methylphenyl)sulfanylpyrimidin-5-amine
CID 19149920
4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine
CID 19149780
4-(4-chlorophenyl)sulfanyl-6-cyclohexyloxypyrimidin-5-amine
CID 19136683
4-N-methyl-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19135112
4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19153291
4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19141680
4-chloro-5-(chloromethyl)-6-pyridin-3-yloxypyrimidine
CID 107087552
2,3-dipyridin-3-yloxypyrazine
CID 139072759
6-(4-chlorophenyl)sulfanyl-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19136592
6-(4-chlorophenyl)sulfanyl-4-N-(2,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 19136571

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine (CID 19136647) is 4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine is Nc1c(Oc2cccnc2)ncnc1Sc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine?
The InChIKey is KOQBZKMKWHFXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4OS/c16-10-3-5-12(6-4-10)22-15-13(17)14(19-9-20-15)21-11-2-1-7-18-8-11/h1-9H,17H2.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine?
4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine has a molecular weight of 330.80 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine is sourced from PubChem (CID 19136647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).