4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine

C15H14N4S — CID 59468418

IUPAC4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3ccc(N)s3)n2)c1
InChIInChI=1S/C15H14N4S/c1-10-3-2-4-11(9-10)18-15-17-8-7-12(19-15)13-5-6-14(16)20-13/h2-9H,16H2,1H3,(H,17,18,19)
InChIKeyPEYQEPMCXMXXDA-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.84
Rot. Bonds3

About 4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine

4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine (PubChem CID 59468418) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
PubChem CID59468418
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3ccc(N)s3)n2)c1
InChIInChI=1S/C15H14N4S/c1-10-3-2-4-11(9-10)18-15-17-8-7-12(19-15)13-5-6-14(16)20-13/h2-9H,16H2,1H3,(H,17,18,19)
InChIKeyPEYQEPMCXMXXDA-UHFFFAOYSA-N
XLogP3.84
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-4-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]pyrimidin-2-amine
CID 123510156
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
tert-butyl N-[2-[4-(5-aminothiophen-2-yl)pyrimidin-2-yl]-3-methylanilino]-N-[5-[2-(3-methylanilino)pyrimidin-4-yl]thiophen-2-yl]carbamate
CID 68558833
4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 170970812
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
sodium;4-(2-chloro-4-pyridinyl)-N-(3-methylphenyl)pyrimidin-2-amine;hydroxide
CID 23720657
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 15653057
tert-butyl N-[5-[2-(3-methylanilino)pyrimidin-4-yl]thiophen-2-yl]-N-(2-oxopropyl)carbamate
CID 59468431
3-N-[4-(3-aminophenyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 11492825
CID 89370521
CID 89370521
N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 54765908

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine (CID 59468418) is 4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine is Cc1cccc(Nc2nccc(-c3ccc(N)s3)n2)c1.
What is the InChIKey of 4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
The InChIKey is PEYQEPMCXMXXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-10-3-2-4-11(9-10)18-15-17-8-7-12(19-15)13-5-6-14(16)20-13/h2-9H,16H2,1H3,(H,17,18,19).
What are the key properties of 4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine?
4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine has a molecular weight of 282.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 59468418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).