4,6-bis(phenylsulfanyl)pyrimidin-2-amine

C16H13N3S2 — CID 1484541

IUPAC4,6-bis(phenylsulfanyl)pyrimidin-2-amine
SMILESNc1nc(Sc2ccccc2)cc(Sc2ccccc2)n1
InChIInChI=1S/C16H13N3S2/c17-16-18-14(20-12-7-3-1-4-8-12)11-15(19-16)21-13-9-5-2-6-10-13/h1-11H,(H2,17,18,19)
InChIKeyJMGDYWDCZMKRHC-UHFFFAOYSA-N
MW311.44 g/mol
LogP4.36
Rot. Bonds4

About 4,6-bis(phenylsulfanyl)pyrimidin-2-amine

4,6-bis(phenylsulfanyl)pyrimidin-2-amine (PubChem CID 1484541) has the molecular formula C16H13N3S2 and a molecular weight of 311.44 g/mol. Its IUPAC name is 4,6-bis(phenylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-bis(phenylsulfanyl)pyrimidin-2-amine
PubChem CID1484541
Molecular FormulaC16H13N3S2
Molecular Weight311.44 g/mol
Exact Mass311.06
IUPAC Name4,6-bis(phenylsulfanyl)pyrimidin-2-amine
SMILESNc1nc(Sc2ccccc2)cc(Sc2ccccc2)n1
InChIInChI=1S/C16H13N3S2/c17-16-18-14(20-12-7-3-1-4-8-12)11-15(19-16)21-13-9-5-2-6-10-13/h1-11H,(H2,17,18,19)
InChIKeyJMGDYWDCZMKRHC-UHFFFAOYSA-N
XLogP4.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(phenylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 4,6-bis(phenylsulfanyl)pyrimidin-2-amine (CID 1484541) is 4,6-bis(phenylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-bis(phenylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-bis(phenylsulfanyl)pyrimidin-2-amine is Nc1nc(Sc2ccccc2)cc(Sc2ccccc2)n1.
What is the InChIKey of 4,6-bis(phenylsulfanyl)pyrimidin-2-amine?
The InChIKey is JMGDYWDCZMKRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3S2/c17-16-18-14(20-12-7-3-1-4-8-12)11-15(19-16)21-13-9-5-2-6-10-13/h1-11H,(H2,17,18,19).
What are the key properties of 4,6-bis(phenylsulfanyl)pyrimidin-2-amine?
4,6-bis(phenylsulfanyl)pyrimidin-2-amine has a molecular weight of 311.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(phenylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 1484541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).