N-(2-cyanoethyl)-5-hydrazinyl-N,2-di(propan-2-yl)pyrimidine-4-carboxamide

C14H22N6O — CID 62241285

IUPACN-(2-cyanoethyl)-5-hydrazinyl-N,2-di(propan-2-yl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(NN)c(C(=O)N(CCC#N)C(C)C)n1
InChIInChI=1S/C14H22N6O/c1-9(2)13-17-8-11(19-16)12(18-13)14(21)20(10(3)4)7-5-6-15/h8-10,19H,5,7,16H2,1-4H3
InChIKeyUQKQUTJXCXSTTF-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.65
Rot. Bonds6

About N-(2-cyanoethyl)-5-hydrazinyl-N,2-di(propan-2-yl)pyrimidine-4-carboxamide

N-(2-cyanoethyl)-5-hydrazinyl-N,2-di(propan-2-yl)pyrimidine-4-carboxamide (PubChem CID 62241285) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-5-hydrazinyl-N,2-di(propan-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-5-hydrazinyl-N,2-di(propan-2-yl)pyrimidine-4-carboxamide
PubChem CID62241285
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC NameN-(2-cyanoethyl)-5-hydrazinyl-N,2-di(propan-2-yl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(NN)c(C(=O)N(CCC#N)C(C)C)n1
InChIInChI=1S/C14H22N6O/c1-9(2)13-17-8-11(19-16)12(18-13)14(21)20(10(3)4)7-5-6-15/h8-10,19H,5,7,16H2,1-4H3
InChIKeyUQKQUTJXCXSTTF-UHFFFAOYSA-N
XLogP1.65
TPSA107.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-cyanoethyl)-5-hydrazinyl-N,2-di(propan-2-yl)pyrimidine-4-carboxamide 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 N-(2-cyanoethyl)-5-hydrazinyl-N,2-di(propan-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-5-hydrazinyl-N,2-di(propan-2-yl)pyrimidine-4-carboxamide (CID 62241285) is N-(2-cyanoethyl)-5-hydrazinyl-N,2-di(propan-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-5-hydrazinyl-N,2-di(propan-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-5-hydrazinyl-N,2-di(propan-2-yl)pyrimidine-4-carboxamide is CC(C)c1ncc(NN)c(C(=O)N(CCC#N)C(C)C)n1.
What is the InChIKey of N-(2-cyanoethyl)-5-hydrazinyl-N,2-di(propan-2-yl)pyrimidine-4-carboxamide?
The InChIKey is UQKQUTJXCXSTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-9(2)13-17-8-11(19-16)12(18-13)14(21)20(10(3)4)7-5-6-15/h8-10,19H,5,7,16H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-5-hydrazinyl-N,2-di(propan-2-yl)pyrimidine-4-carboxamide?
N-(2-cyanoethyl)-5-hydrazinyl-N,2-di(propan-2-yl)pyrimidine-4-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-5-hydrazinyl-N,2-di(propan-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 62241285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).