6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine

C15H14ClN3 — CID 106196089

IUPAC6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine
SMILESClc1cc(NC2CC=CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H14ClN3/c16-13-10-14(17-12-8-4-5-9-12)19-15(18-13)11-6-2-1-3-7-11/h1-7,10,12H,8-9H2,(H,17,18,19)
InChIKeyKNJJYILBORQFEJ-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.93
Rot. Bonds3

About 6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine

6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine (PubChem CID 106196089) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine
PubChem CID106196089
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine
SMILESClc1cc(NC2CC=CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H14ClN3/c16-13-10-14(17-12-8-4-5-9-12)19-15(18-13)11-6-2-1-3-7-11/h1-7,10,12H,8-9H2,(H,17,18,19)
InChIKeyKNJJYILBORQFEJ-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
CID 112559616
6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine
CID 114549259
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 115914667
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854334
4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 118641046
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 112559667
6-chloro-2-phenyl-N-thiophen-3-ylpyrimidin-4-amine
CID 112559672
N-cyclopent-3-en-1-yl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133362287
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114757208
6-chloro-N-pent-4-ynyl-2-phenylpyrimidin-4-amine
CID 106223074

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine (CID 106196089) is 6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine is Clc1cc(NC2CC=CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine?
The InChIKey is KNJJYILBORQFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c16-13-10-14(17-12-8-4-5-9-12)19-15(18-13)11-6-2-1-3-7-11/h1-7,10,12H,8-9H2,(H,17,18,19).
What are the key properties of 6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine?
6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine has a molecular weight of 271.75 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 106196089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).