N-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine

C14H16ClN5O — CID 107623692

IUPACN-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
SMILESCOc1cc(Nc2cc(NN)nc(C3CC3)n2)ccc1Cl
InChIInChI=1S/C14H16ClN5O/c1-21-11-6-9(4-5-10(11)15)17-12-7-13(20-16)19-14(18-12)8-2-3-8/h4-8H,2-3,16H2,1H3,(H2,17,18,19,20)
InChIKeyPYMQVQGOSGAIER-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.05
Rot. Bonds5

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

N-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 107623692) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
PubChem CID107623692
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC NameN-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
SMILESCOc1cc(Nc2cc(NN)nc(C3CC3)n2)ccc1Cl
InChIInChI=1S/C14H16ClN5O/c1-21-11-6-9(4-5-10(11)15)17-12-7-13(20-16)19-14(18-12)8-2-3-8/h4-8H,2-3,16H2,1H3,(H2,17,18,19,20)
InChIKeyPYMQVQGOSGAIER-UHFFFAOYSA-N
XLogP3.05
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N-(3-chlorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80968707
4-N-(4-chloro-3-methoxyphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 107623619
2-cyclopropyl-N-(2,6-dichlorophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969290
4-N-(4-chloro-3-methoxyphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 107623596
N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80969702
[2-cyclopropyl-6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80969675
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80969098
2-cyclopropyl-6-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80964846
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80913116
6-(4-chloro-3-methoxyphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80951908
N-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80964867

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine (CID 107623692) is N-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine is COc1cc(Nc2cc(NN)nc(C3CC3)n2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is PYMQVQGOSGAIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-21-11-6-9(4-5-10(11)15)17-12-7-13(20-16)19-14(18-12)8-2-3-8/h4-8H,2-3,16H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine?
N-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 305.77 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 107623692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).