5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine

C13H14ClN3 — CID 79557504

IUPAC5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine
SMILESClc1cnc(NCCCc2ccccc2)nc1
InChIInChI=1S/C13H14ClN3/c14-12-9-16-13(17-10-12)15-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,15,16,17)
InChIKeyXXWXRJJWYBQEHF-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.17
Rot. Bonds5

About 5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine

5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine (PubChem CID 79557504) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine
PubChem CID79557504
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine
SMILESClc1cnc(NCCCc2ccccc2)nc1
InChIInChI=1S/C13H14ClN3/c14-12-9-16-13(17-10-12)15-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,15,16,17)
InChIKeyXXWXRJJWYBQEHF-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
CID 63208283
5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 54931106
N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide
CID 109262706
3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 114835697
6-chloro-N-(3-phenylpropyl)pyrazin-2-amine
CID 11608477
3-chloro-N-(3-phenylpropyl)pyridin-4-amine
CID 79770520
N-(5-chloropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79555337
5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-2-amine
CID 79566523
2,5-dichloro-N-(3-phenylpropyl)aniline
CID 29049060
N-(chloromethyl)-3-phenylpropan-1-amine
CID 141240015
4-N-(2-chlorophenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899378
2-chloro-4-methyl-N-(3-phenylpropyl)pyridin-3-amine
CID 65485111

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine (CID 79557504) is 5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine is Clc1cnc(NCCCc2ccccc2)nc1.
What is the InChIKey of 5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine?
The InChIKey is XXWXRJJWYBQEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-12-9-16-13(17-10-12)15-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,15,16,17).
What are the key properties of 5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine?
5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine has a molecular weight of 247.73 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 79557504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).