2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide

C15H17N5O2 — CID 129032992

IUPAC2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide
SMILESCOc1cccc(C2(Nc3ncc(C(=O)NN)cn3)CC2)c1
InChIInChI=1S/C15H17N5O2/c1-22-12-4-2-3-11(7-12)15(5-6-15)19-14-17-8-10(9-18-14)13(21)20-16/h2-4,7-9H,5-6,16H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyKKHFITPWFNSXHF-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.19
Rot. Bonds5

About 2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide

2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide (PubChem CID 129032992) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide
PubChem CID129032992
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide
SMILESCOc1cccc(C2(Nc3ncc(C(=O)NN)cn3)CC2)c1
InChIInChI=1S/C15H17N5O2/c1-22-12-4-2-3-11(7-12)15(5-6-15)19-14-17-8-10(9-18-14)13(21)20-16/h2-4,7-9H,5-6,16H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyKKHFITPWFNSXHF-UHFFFAOYSA-N
XLogP1.19
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide?
The IUPAC name of 2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide (CID 129032992) is 2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide?
The canonical SMILES for 2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide is COc1cccc(C2(Nc3ncc(C(=O)NN)cn3)CC2)c1.
What is the InChIKey of 2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide?
The InChIKey is KKHFITPWFNSXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-22-12-4-2-3-11(7-12)15(5-6-15)19-14-17-8-10(9-18-14)13(21)20-16/h2-4,7-9H,5-6,16H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide?
2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide has a molecular weight of 299.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide is sourced from PubChem (CID 129032992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).