N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine

C14H16ClN5 — CID 80969702

IUPACN-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(NN)nc(C3CC3)n2)c(Cl)c1
InChIInChI=1S/C14H16ClN5/c1-8-2-5-11(10(15)6-8)17-12-7-13(20-16)19-14(18-12)9-3-4-9/h2,5-7,9H,3-4,16H2,1H3,(H2,17,18,19,20)
InChIKeyVNRTXXQODNOUKU-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.35
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine

N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 80969702) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
PubChem CID80969702
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC NameN-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(NN)nc(C3CC3)n2)c(Cl)c1
InChIInChI=1S/C14H16ClN5/c1-8-2-5-11(10(15)6-8)17-12-7-13(20-16)19-14(18-12)9-3-4-9/h2,5-7,9H,3-4,16H2,1H3,(H2,17,18,19,20)
InChIKeyVNRTXXQODNOUKU-UHFFFAOYSA-N
XLogP3.35
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.35
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

6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948882
4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80957024
2-cyclopropyl-N-(2,5-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968268
N-(2-chloro-4-methylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946977
N-(2-chloro-4-methylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80919851
N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80964867
2-cyclopropyl-N-(2,6-dichlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969290
2-cyclopropyl-N-(2,3-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969126
4-N-(2-chloro-5-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107638910
2-cyclopropyl-6-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80964846
4-N-(2-chloro-4-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755521
N-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 82767025

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine (CID 80969702) is N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine is Cc1ccc(Nc2cc(NN)nc(C3CC3)n2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is VNRTXXQODNOUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c1-8-2-5-11(10(15)6-8)17-12-7-13(20-16)19-14(18-12)9-3-4-9/h2,5-7,9H,3-4,16H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 289.77 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80969702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).