N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine

C13H14ClN5 — CID 80968707

IUPACN-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(Nc2cccc(Cl)c2)nc(C2CC2)n1
InChIInChI=1S/C13H14ClN5/c14-9-2-1-3-10(6-9)16-11-7-12(19-15)18-13(17-11)8-4-5-8/h1-3,6-8H,4-5,15H2,(H2,16,17,18,19)
InChIKeyNHTBWLGRKDSMJH-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.04
Rot. Bonds4

About N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine

N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 80968707) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
PubChem CID80968707
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC NameN-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
SMILESNNc1cc(Nc2cccc(Cl)c2)nc(C2CC2)n1
InChIInChI=1S/C13H14ClN5/c14-9-2-1-3-10(6-9)16-11-7-12(19-15)18-13(17-11)8-4-5-8/h1-3,6-8H,4-5,15H2,(H2,16,17,18,19)
InChIKeyNHTBWLGRKDSMJH-UHFFFAOYSA-N
XLogP3.04
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80969098
2-cyclopropyl-N-(2,6-dichlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969290
N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80964867
2-tert-butyl-N-(3-chlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968809
N-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 107623692
N-(3-chlorophenyl)-6-hydrazinylpyridazin-3-amine
CID 59363292
2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969126
N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80969702
2-cyclopropyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 53214520
2-cyclopropyl-N-(2,5-difluorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969096
2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 80956706
N-cyclopentyl-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80968820

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine (CID 80968707) is N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine is NNc1cc(Nc2cccc(Cl)c2)nc(C2CC2)n1.
What is the InChIKey of N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is NHTBWLGRKDSMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c14-9-2-1-3-10(6-9)16-11-7-12(19-15)18-13(17-11)8-4-5-8/h1-3,6-8H,4-5,15H2,(H2,16,17,18,19).
What are the key properties of N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 275.74 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80968707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).