6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C16H13ClN4 — CID 3233435

IUPAC6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESClc1ccccc1-c1cc(NCc2cccnc2)ncn1
InChIInChI=1S/C16H13ClN4/c17-14-6-2-1-5-13(14)15-8-16(21-11-20-15)19-10-12-4-3-7-18-9-12/h1-9,11H,10H2,(H,19,20,21)
InChIKeyUHXJSWYMYPPQFE-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.80
Rot. Bonds4

About 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 3233435) has the molecular formula C16H13ClN4 and a molecular weight of 296.76 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID3233435
Molecular FormulaC16H13ClN4
Molecular Weight296.76 g/mol
Exact Mass296.08
IUPAC Name6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESClc1ccccc1-c1cc(NCc2cccnc2)ncn1
InChIInChI=1S/C16H13ClN4/c17-14-6-2-1-5-13(14)15-8-16(21-11-20-15)19-10-12-4-3-7-18-9-12/h1-9,11H,10H2,(H,19,20,21)
InChIKeyUHXJSWYMYPPQFE-UHFFFAOYSA-N
XLogP3.80
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Htl14242
CID 86763358
4-(4-chlorobenzyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-amine
CID 17751819
Cgp-60474
CID 644215
5-Chloro-2-{2-[phenyl(pyridin-2-yl)methylidene]hydrazin-1-yl}pyridine
CID 6519698
N-((4-chlorophenyl)methyl)pyridin-2-amine
CID 89881
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
Pik-iii
CID 67983123
6-(2,3-Dichlorophenyl)-N4-methylpyrimidine-2,4-diamine
CID 73441664
4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
CID 86277841
N-(3-Chloro-4-(((2-(methylamino)-6-(pyridin-2-yl)pyrimidin-4-yl)amino)methyl)phenyl)methanesulfonamide
CID 91826086
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine
CID 2766552

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 3233435) is 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is Clc1ccccc1-c1cc(NCc2cccnc2)ncn1.
What is the InChIKey of 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is UHXJSWYMYPPQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4/c17-14-6-2-1-5-13(14)15-8-16(21-11-20-15)19-10-12-4-3-7-18-9-12/h1-9,11H,10H2,(H,19,20,21).
What are the key properties of 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 296.76 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3233435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).