N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpyrimidin-4-amine

C14H13N5OS — CID 115916036

IUPACN-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpyrimidin-4-amine
SMILESCNc1cc(Sc2nnc(C)o2)nc(-c2ccccc2)n1
InChIInChI=1S/C14H13N5OS/c1-9-18-19-14(20-9)21-12-8-11(15-2)16-13(17-12)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,15,16,17)
InChIKeyKIAYZHSNYFWEFF-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.03
Rot. Bonds4

About N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpyrimidin-4-amine

N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpyrimidin-4-amine (PubChem CID 115916036) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpyrimidin-4-amine
PubChem CID115916036
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpyrimidin-4-amine
SMILESCNc1cc(Sc2nnc(C)o2)nc(-c2ccccc2)n1
InChIInChI=1S/C14H13N5OS/c1-9-18-19-14(20-9)21-12-8-11(15-2)16-13(17-12)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,15,16,17)
InChIKeyKIAYZHSNYFWEFF-UHFFFAOYSA-N
XLogP3.03
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpyrimidin-4-amine (CID 115916036) is N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpyrimidin-4-amine is CNc1cc(Sc2nnc(C)o2)nc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpyrimidin-4-amine?
The InChIKey is KIAYZHSNYFWEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-9-18-19-14(20-9)21-12-8-11(15-2)16-13(17-12)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpyrimidin-4-amine?
N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpyrimidin-4-amine has a molecular weight of 299.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 115916036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).