N-(3-methoxyphenyl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine

C16H15N3OS — CID 14347094

IUPACN-(3-methoxyphenyl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-c3ccc(C)s3)n2)c1
InChIInChI=1S/C16H15N3OS/c1-11-6-7-15(21-11)14-8-9-17-16(19-14)18-12-4-3-5-13(10-12)20-2/h3-10H,1-2H3,(H,17,18,19)
InChIKeyUMGLXBVUJZPXFK-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.27
Rot. Bonds4

About N-(3-methoxyphenyl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine

N-(3-methoxyphenyl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine (PubChem CID 14347094) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine
PubChem CID14347094
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-(3-methoxyphenyl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-c3ccc(C)s3)n2)c1
InChIInChI=1S/C16H15N3OS/c1-11-6-7-15(21-11)14-8-9-17-16(19-14)18-12-4-3-5-13(10-12)20-2/h3-10H,1-2H3,(H,17,18,19)
InChIKeyUMGLXBVUJZPXFK-UHFFFAOYSA-N
XLogP4.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine (CID 14347094) is N-(3-methoxyphenyl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine is COc1cccc(Nc2nccc(-c3ccc(C)s3)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine?
The InChIKey is UMGLXBVUJZPXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-6-7-15(21-11)14-8-9-17-16(19-14)18-12-4-3-5-13(10-12)20-2/h3-10H,1-2H3,(H,17,18,19).
What are the key properties of N-(3-methoxyphenyl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine?
N-(3-methoxyphenyl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine has a molecular weight of 297.38 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(5-methylthiophen-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 14347094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).