N-(3-methylphenyl)-4-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]pyrimidin-2-amine

C21H19N3S2 — CID 123510156

IUPACN-(3-methylphenyl)-4-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3ccc(CCc4cccs4)s3)n2)c1
InChIInChI=1S/C21H19N3S2/c1-15-4-2-5-16(14-15)23-21-22-12-11-19(24-21)20-10-9-18(26-20)8-7-17-6-3-13-25-17/h2-6,9-14H,7-8H2,1H3,(H,22,23,24)
InChIKeyUXEAVBPNJWDOOO-UHFFFAOYSA-N
MW377.54 g/mol
LogP6.10
Rot. Bonds6

About N-(3-methylphenyl)-4-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]pyrimidin-2-amine

N-(3-methylphenyl)-4-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]pyrimidin-2-amine (PubChem CID 123510156) has the molecular formula C21H19N3S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]pyrimidin-2-amine
PubChem CID123510156
Molecular FormulaC21H19N3S2
Molecular Weight377.54 g/mol
Exact Mass377.10
IUPAC NameN-(3-methylphenyl)-4-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3ccc(CCc4cccs4)s3)n2)c1
InChIInChI=1S/C21H19N3S2/c1-15-4-2-5-16(14-15)23-21-22-12-11-19(24-21)20-10-9-18(26-20)8-7-17-6-3-13-25-17/h2-6,9-14H,7-8H2,1H3,(H,22,23,24)
InChIKeyUXEAVBPNJWDOOO-UHFFFAOYSA-N
XLogP6.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.54
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-aminothiophen-2-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 59468418
4-(5-ethylthiophen-2-yl)-N-phenylpyrimidin-2-amine
CID 104609503
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
tert-butyl N-[5-[2-(3-methylanilino)pyrimidin-4-yl]thiophen-2-yl]-N-(2-oxopropyl)carbamate
CID 59468431
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
2-[5-[2-[3-(hydroxymethyl)anilino]pyrimidin-4-yl]thiophen-2-yl]acetic acid
CID 59468537
4-[2-(3-methylanilino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 170970812
4-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 112888269
N-(4-methyl-2-pyridinyl)-6-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 58706589
N-(4-methoxyphenyl)-4-thiophen-2-ylpyrimidin-2-amine
CID 14346981
4-(1H-indol-3-yl)-N-(3-methylphenyl)pyrimidin-2-amine
CID 15653057
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 N-(3-methylphenyl)-4-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]pyrimidin-2-amine?
The IUPAC name of N-(3-methylphenyl)-4-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]pyrimidin-2-amine (CID 123510156) is N-(3-methylphenyl)-4-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-(3-methylphenyl)-4-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]pyrimidin-2-amine is Cc1cccc(Nc2nccc(-c3ccc(CCc4cccs4)s3)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]pyrimidin-2-amine?
The InChIKey is UXEAVBPNJWDOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3S2/c1-15-4-2-5-16(14-15)23-21-22-12-11-19(24-21)20-10-9-18(26-20)8-7-17-6-3-13-25-17/h2-6,9-14H,7-8H2,1H3,(H,22,23,24).
What are the key properties of N-(3-methylphenyl)-4-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]pyrimidin-2-amine?
N-(3-methylphenyl)-4-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]pyrimidin-2-amine has a molecular weight of 377.54 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-[5-(2-thiophen-2-ylethyl)thiophen-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 123510156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).