N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine

C15H13N3OS — CID 14347056

IUPACN-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-c3ccsc3)n2)c1
InChIInChI=1S/C15H13N3OS/c1-19-13-4-2-3-12(9-13)17-15-16-7-5-14(18-15)11-6-8-20-10-11/h2-10H,1H3,(H,16,17,18)
InChIKeyMXYJOPNDUGFVCK-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.96
Rot. Bonds4

About N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine

N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine (PubChem CID 14347056) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine
PubChem CID14347056
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-c3ccsc3)n2)c1
InChIInChI=1S/C15H13N3OS/c1-19-13-4-2-3-12(9-13)17-15-16-7-5-14(18-15)11-6-8-20-10-11/h2-10H,1H3,(H,16,17,18)
InChIKeyMXYJOPNDUGFVCK-UHFFFAOYSA-N
XLogP3.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 15653050
N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10275222
N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine
CID 170970806
3-ethyl-5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-one
CID 11210054
N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10272121
4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one
CID 174198941
N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87365300
N-(3,5-dimethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 25169255
N-(3-methoxyphenyl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)pyrimidin-2-amine
CID 24992713
N-(4-methoxyphenyl)-4-(1-methylpyridin-1-ium-4-yl)pyrimidin-2-amine iodide
CID 14722187
4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
CID 67346929
N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine
CID 170970463

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine (CID 14347056) is N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine is COc1cccc(Nc2nccc(-c3ccsc3)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine?
The InChIKey is MXYJOPNDUGFVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-19-13-4-2-3-12(9-13)17-15-16-7-5-14(18-15)11-6-8-20-10-11/h2-10H,1H3,(H,16,17,18).
What are the key properties of N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine?
N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine has a molecular weight of 283.36 g/mol, XLogP of 3.96, 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-thiophen-3-ylpyrimidin-2-amine is sourced from PubChem (CID 14347056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).