4-(4-chlorophenyl)sulfanyl-6-morpholin-4-ylpyrimidin-2-amine

C14H15ClN4OS — CID 1484291

IUPAC4-(4-chlorophenyl)sulfanyl-6-morpholin-4-ylpyrimidin-2-amine
SMILESNc1nc(Sc2ccc(Cl)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C14H15ClN4OS/c15-10-1-3-11(4-2-10)21-13-9-12(17-14(16)18-13)19-5-7-20-8-6-19/h1-4,9H,5-8H2,(H2,16,17,18)
InChIKeyOEFHAEXAMRRTLB-UHFFFAOYSA-N
MW322.82 g/mol
LogP2.70
Rot. Bonds3

About 4-(4-chlorophenyl)sulfanyl-6-morpholin-4-ylpyrimidin-2-amine

4-(4-chlorophenyl)sulfanyl-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 1484291) has the molecular formula C14H15ClN4OS and a molecular weight of 322.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID1484291
Molecular FormulaC14H15ClN4OS
Molecular Weight322.82 g/mol
Exact Mass322.07
IUPAC Name4-(4-chlorophenyl)sulfanyl-6-morpholin-4-ylpyrimidin-2-amine
SMILESNc1nc(Sc2ccc(Cl)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C14H15ClN4OS/c15-10-1-3-11(4-2-10)21-13-9-12(17-14(16)18-13)19-5-7-20-8-6-19/h1-4,9H,5-8H2,(H2,16,17,18)
InChIKeyOEFHAEXAMRRTLB-UHFFFAOYSA-N
XLogP2.70
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-morpholin-4-ylpyrimidin-2-amine (CID 1484291) is 4-(4-chlorophenyl)sulfanyl-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-6-morpholin-4-ylpyrimidin-2-amine is Nc1nc(Sc2ccc(Cl)cc2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is OEFHAEXAMRRTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4OS/c15-10-1-3-11(4-2-10)21-13-9-12(17-14(16)18-13)19-5-7-20-8-6-19/h1-4,9H,5-8H2,(H2,16,17,18).
What are the key properties of 4-(4-chlorophenyl)sulfanyl-6-morpholin-4-ylpyrimidin-2-amine?
4-(4-chlorophenyl)sulfanyl-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 322.82 g/mol, XLogP of 2.70, 3 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-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 1484291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).