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

C15H13N3OS — CID 14346981

IUPACN-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-c3cccs3)n2)cc1
InChIInChI=1S/C15H13N3OS/c1-19-12-6-4-11(5-7-12)17-15-16-9-8-13(18-15)14-3-2-10-20-14/h2-10H,1H3,(H,16,17,18)
InChIKeySYCPDJKZAZXSBK-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.96
Rot. Bonds4

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

N-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine (PubChem CID 14346981) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine
PubChem CID14346981
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-c3cccs3)n2)cc1
InChIInChI=1S/C15H13N3OS/c1-19-12-6-4-11(5-7-12)17-15-16-9-8-13(18-15)14-3-2-10-20-14/h2-10H,1H3,(H,16,17,18)
InChIKeySYCPDJKZAZXSBK-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-(4-methoxyphenyl)-4-(1-methylpyridin-1-ium-4-yl)pyrimidin-2-amine iodide
CID 14722187
N-(3,5-dimethoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 25169255
1-(4-methoxyphenyl)-3-[3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]urea
CID 73148989
(3S)-3-(3-methoxyphenyl)-3-[(4-thiophen-2-ylpyrimidin-2-yl)carbamothioylamino]propanoic acid
CID 100569952
4-[4-(2-aminophenoxy)phenyl]-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 134155081
4-imidazo[1,2-a]pyridin-3-yl-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 57490526
4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11667571
N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-thiophen-2-ylpyrimidin-2-amine phosphate
CID 19811563
4-methoxy-N-[4-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 164625490
N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 14347056
2-[(4-methoxyphenyl)methyltrisulfanyl]-4-thiophen-2-ylpyrimidine;1-methoxy-4-(trisulfanylmethyl)benzene
CID 162031825
1-(3,5-dimethoxyphenyl)-3-[3-[(4-thiophen-2-ylpyrimidin-2-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]thiourea
CID 73138668

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine (CID 14346981) is N-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine is COc1ccc(Nc2nccc(-c3cccs3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is SYCPDJKZAZXSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-19-12-6-4-11(5-7-12)17-15-16-9-8-13(18-15)14-3-2-10-20-14/h2-10H,1H3,(H,16,17,18).
What are the key properties of N-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine?
N-(4-methoxyphenyl)-4-thiophen-2-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-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 14346981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).