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

Dapivirine
CID 214347
Rilpivirine
CID 6451164
2-(Benzylamino)pyridine
CID 23362
Rilpivirine Hydrochloride
CID 11711114
4-Phenylpyrimidine
CID 18923
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
WZ 811
CID 11565518
5-Phenyl-2,4-pyrimidinediamine
CID 134761
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
4-[[4-[4-(2-Cyanoethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
CID 5270788

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).