N-(3-imidazol-1-ylpropyl)-2-methoxypyrimidine-5-carboxamide

C12H15N5O2 — CID 119059606

IUPACN-(3-imidazol-1-ylpropyl)-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)NCCCn2ccnc2)cn1
InChIInChI=1S/C12H15N5O2/c1-19-12-15-7-10(8-16-12)11(18)14-3-2-5-17-6-4-13-9-17/h4,6-9H,2-3,5H2,1H3,(H,14,18)
InChIKeyMKFVCDPHMCBLBR-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.50
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-methoxypyrimidine-5-carboxamide

N-(3-imidazol-1-ylpropyl)-2-methoxypyrimidine-5-carboxamide (PubChem CID 119059606) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methoxypyrimidine-5-carboxamide
PubChem CID119059606
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)NCCCn2ccnc2)cn1
InChIInChI=1S/C12H15N5O2/c1-19-12-15-7-10(8-16-12)11(18)14-3-2-5-17-6-4-13-9-17/h4,6-9H,2-3,5H2,1H3,(H,14,18)
InChIKeyMKFVCDPHMCBLBR-UHFFFAOYSA-N
XLogP0.50
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-imidazol-1-ylpropyl)-2-methoxypyrimidine-5-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-(3-imidazol-1-ylpropyl)-2-methoxypyrimidine-5-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methoxypyrimidine-5-carboxamide (CID 119059606) is N-(3-imidazol-1-ylpropyl)-2-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methoxypyrimidine-5-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methoxypyrimidine-5-carboxamide is COc1ncc(C(=O)NCCCn2ccnc2)cn1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methoxypyrimidine-5-carboxamide?
The InChIKey is MKFVCDPHMCBLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-19-12-15-7-10(8-16-12)11(18)14-3-2-5-17-6-4-13-9-17/h4,6-9H,2-3,5H2,1H3,(H,14,18).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-methoxypyrimidine-5-carboxamide?
N-(3-imidazol-1-ylpropyl)-2-methoxypyrimidine-5-carboxamide has a molecular weight of 261.29 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 119059606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).