2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine

C18H16ClN3 — CID 18186489

IUPAC2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine
SMILESClc1ncc(CCc2ccccc2)c(Nc2ccccc2)n1
InChIInChI=1S/C18H16ClN3/c19-18-20-13-15(12-11-14-7-3-1-4-8-14)17(22-18)21-16-9-5-2-6-10-16/h1-10,13H,11-12H2,(H,20,21,22)
InChIKeyCNQSMMNCTOBQGV-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.66
Rot. Bonds5

About 2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine

2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 18186489) has the molecular formula C18H16ClN3 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine
PubChem CID18186489
Molecular FormulaC18H16ClN3
Molecular Weight309.80 g/mol
Exact Mass309.10
IUPAC Name2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine
SMILESClc1ncc(CCc2ccccc2)c(Nc2ccccc2)n1
InChIInChI=1S/C18H16ClN3/c19-18-20-13-15(12-11-14-7-3-1-4-8-14)17(22-18)21-16-9-5-2-6-10-16/h1-10,13H,11-12H2,(H,20,21,22)
InChIKeyCNQSMMNCTOBQGV-UHFFFAOYSA-N
XLogP4.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-chloro-5-ethylpyrimidin-4-amine
CID 122630775
5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine
CID 79076273
2-chloro-5-fluoro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 79080683
5-fluoro-N-phenyl-4-(2-phenylethyl)pyrimidin-2-amine
CID 66764541
2-chloro-N-(3-ethylphenyl)-5-fluoropyrimidin-4-amine
CID 79080610
3-[3-(6-chloro-3-pyridinyl)propyl]-6-methyl-N-phenylpyridin-2-amine
CID 87549970
N-(4-chlorophenyl)-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine
CID 10155407
2-chloro-5-(3,3-diethoxyprop-1-ynyl)-N-phenylpyrimidin-4-amine
CID 158502573
9-benzyl-2-chloro-N-phenylpurin-6-amine;hydrochloride
CID 127258073
2-chloro-5-fluoro-N-(4-phenylbutan-2-yl)pyrimidin-4-amine
CID 79081085
[5-[2-[3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]phenyl]ethyl]-3-pyridinyl]carbamic acid
CID 87189179
2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 59174493

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine (CID 18186489) is 2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine is Clc1ncc(CCc2ccccc2)c(Nc2ccccc2)n1.
What is the InChIKey of 2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is CNQSMMNCTOBQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3/c19-18-20-13-15(12-11-14-7-3-1-4-8-14)17(22-18)21-16-9-5-2-6-10-16/h1-10,13H,11-12H2,(H,20,21,22).
What are the key properties of 2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine?
2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 309.80 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 18186489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).