5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C15H12ClN3S — CID 3233370

IUPAC5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESClc1ccccc1-c1cncnc1NCc1cccs1
InChIInChI=1S/C15H12ClN3S/c16-14-6-2-1-5-12(14)13-9-17-10-19-15(13)18-8-11-4-3-7-20-11/h1-7,9-10H,8H2,(H,17,18,19)
InChIKeyJTAFGFOGUPBQAC-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.47
Rot. Bonds4

About 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 3233370) has the molecular formula C15H12ClN3S and a molecular weight of 301.80 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID3233370
Molecular FormulaC15H12ClN3S
Molecular Weight301.80 g/mol
Exact Mass301.04
IUPAC Name5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESClc1ccccc1-c1cncnc1NCc1cccs1
InChIInChI=1S/C15H12ClN3S/c16-14-6-2-1-5-12(14)13-9-17-10-19-15(13)18-8-11-4-3-7-20-11/h1-7,9-10H,8H2,(H,17,18,19)
InChIKeyJTAFGFOGUPBQAC-UHFFFAOYSA-N
XLogP4.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-{[(5-Chlorothiophen-3-yl)methyl]amino}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 11617435
(3R,4S)-4-(2-chloro-4-fluorophenyl)-1-[6-(thiophen-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine
CID 23647103
(3R,4S)-4-(2-chloro-4,5-difluorophenyl)-1-[6-(thiophen-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine
CID 23647104
N-[2-(4-chlorophenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 2808291
N-[2-(4-chlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 2808613
4-(2,4-Dichlorophenyl)-1-(2-thiophen-3-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 11999207
4-(2-Chloro-4-fluorophenyl)-1-(6-thiophen-3-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 11999208
4-(2-Chloro-4,5-difluorophenyl)-1-(6-thiophen-3-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 11999211
N-[(4-chlorophenyl)methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 44379238
4-(5-(4-chlorophenyl)thiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 53326402
5-methyl-2-(2-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 60167909
3-[1-(2,6-Dichloro-3-fluorophenyl)ethylsulfanyl]-5-pyrimidin-5-ylpyridin-2-amine
CID 66549699

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 3233370) is 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is Clc1ccccc1-c1cncnc1NCc1cccs1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is JTAFGFOGUPBQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3S/c16-14-6-2-1-5-12(14)13-9-17-10-19-15(13)18-8-11-4-3-7-20-11/h1-7,9-10H,8H2,(H,17,18,19).
What are the key properties of 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 301.80 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3233370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).