5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine

C13H14ClN3 — CID 112696400

IUPAC5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine
SMILESCC(CNc1ncc(Cl)cn1)c1ccccc1
InChIInChI=1S/C13H14ClN3/c1-10(11-5-3-2-4-6-11)7-15-13-16-8-12(14)9-17-13/h2-6,8-10H,7H2,1H3,(H,15,16,17)
InChIKeyOFVGUXDYSFRYHV-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.35
Rot. Bonds4

About 5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine

5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine (PubChem CID 112696400) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine
PubChem CID112696400
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine
SMILESCC(CNc1ncc(Cl)cn1)c1ccccc1
InChIInChI=1S/C13H14ClN3/c1-10(11-5-3-2-4-6-11)7-15-13-16-8-12(14)9-17-13/h2-6,8-10H,7H2,1H3,(H,15,16,17)
InChIKeyOFVGUXDYSFRYHV-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylpropyl)quinazolin-2-amine
CID 114789270
2,5-dichloro-N-(2-phenylpropyl)pyrimidin-4-amine
CID 104592094
5-chloro-N-(2-methylsulfanylpropyl)pyrimidin-2-amine
CID 115756039
6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine
CID 104592104
5-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-2-amine
CID 79556217
N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine
CID 103204477
5-chloro-N-(3-phenylbutyl)pyridin-2-amine
CID 62986989
5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine
CID 166321941
5-chloro-N-(2-methyl-2-phenylpropyl)pyrimidin-2-amine
CID 79557000
5-chloro-2-methyl-N-(2-phenylpropyl)aniline
CID 43103911
5-methyl-N-(2-phenylpropyl)-1,3-thiazol-2-amine
CID 83291327
N-(2-phenylpropyl)quinoxalin-2-amine
CID 47142875

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine (CID 112696400) is 5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine is CC(CNc1ncc(Cl)cn1)c1ccccc1.
What is the InChIKey of 5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine?
The InChIKey is OFVGUXDYSFRYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-10(11-5-3-2-4-6-11)7-15-13-16-8-12(14)9-17-13/h2-6,8-10H,7H2,1H3,(H,15,16,17).
What are the key properties of 5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine?
5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine has a molecular weight of 247.73 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-phenylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 112696400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).