6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine

C13H12ClN3 — CID 112559616

IUPAC6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
SMILESClc1cc(NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C13H12ClN3/c14-11-8-12(15-10-6-7-10)17-13(16-11)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,15,16,17)
InChIKeyCOEFUGKAJGWUDD-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.37
Rot. Bonds3

About 6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine

6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine (PubChem CID 112559616) has the molecular formula C13H12ClN3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
PubChem CID112559616
Molecular FormulaC13H12ClN3
Molecular Weight245.71 g/mol
Exact Mass245.07
IUPAC Name6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
SMILESClc1cc(NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C13H12ClN3/c14-11-8-12(15-10-6-7-10)17-13(16-11)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,15,16,17)
InChIKeyCOEFUGKAJGWUDD-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine
CID 106196089
6-chloro-N-(3-methylcyclopentyl)-2-phenylpyrimidin-4-amine
CID 114549259
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 115914667
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169
6-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropyl-2-phenylpyrimidine-4,6-diamine
CID 112879476
N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112879434
4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112879570
4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879528
N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine
CID 71031794
4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879514
4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112879566

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine (CID 112559616) is 6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine is Clc1cc(NC2CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine?
The InChIKey is COEFUGKAJGWUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3/c14-11-8-12(15-10-6-7-10)17-13(16-11)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,15,16,17).
What are the key properties of 6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine?
6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine has a molecular weight of 245.71 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 112559616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).