5-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine

C18H16ClN3 — CID 3234784

IUPAC5-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1cccc(CNc2ncncc2-c2ccccc2Cl)c1
InChIInChI=1S/C18H16ClN3/c1-13-5-4-6-14(9-13)10-21-18-16(11-20-12-22-18)15-7-2-3-8-17(15)19/h2-9,11-12H,10H2,1H3,(H,20,21,22)
InChIKeyFHUOFAYJBLCGPD-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.72
Rot. Bonds4

About 5-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine

5-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 3234784) has the molecular formula C18H16ClN3 and a molecular weight of 309.80 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID3234784
Molecular FormulaC18H16ClN3
Molecular Weight309.80 g/mol
Exact Mass309.10
IUPAC Name5-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1cccc(CNc2ncncc2-c2ccccc2Cl)c1
InChIInChI=1S/C18H16ClN3/c1-13-5-4-6-14(9-13)10-21-18-16(11-20-12-22-18)15-7-2-3-8-17(15)19/h2-9,11-12H,10H2,1H3,(H,20,21,22)
InChIKeyFHUOFAYJBLCGPD-UHFFFAOYSA-N
XLogP4.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidine, 5-(p-chlorophenyl)-2,4-diamino-
CID 204821
5-(4-Chlorophenyl)-4-pyrimidinamine
CID 2735804
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methylphenyl)pyrimidin-4-amine
CID 10172375
9-Chloro-7-(2-chlorophenyl)-5H-pyrimido(5,4-d)(2)benzazepine
CID 131736
6-(2,6-dichlorophenyl)-2-N-[3-(diethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine
CID 5328114
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
N*2*-Phenethyl-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393180
US9205085, Msx-221
CID 49857488
2,5-Diphenylpyrimidine
CID 755305
5-[(4-Chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 14999837
5-(3-Chlorophenyl)-2,4-pyrimidinediamine
CID 23423601
N-(4-Chlorobenzyl)pyrimidin-2-amine
CID 4882447

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine (CID 3234784) is 5-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine is Cc1cccc(CNc2ncncc2-c2ccccc2Cl)c1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is FHUOFAYJBLCGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3/c1-13-5-4-6-14(9-13)10-21-18-16(11-20-12-22-18)15-7-2-3-8-17(15)19/h2-9,11-12H,10H2,1H3,(H,20,21,22).
What are the key properties of 5-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine?
5-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 309.80 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 3234784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).