2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide

C15H25N5O2 — CID 3055432

IUPAC2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cnc(N(C)C)nc1OC
InChIInChI=1S/C15H25N5O2/c1-5-20-8-6-7-11(20)9-16-13(21)12-10-17-15(19(2)3)18-14(12)22-4/h10-11H,5-9H2,1-4H3,(H,16,21)
InChIKeyPQBAJPIJGUWMTD-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.77
Rot. Bonds6

About 2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide

2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide (PubChem CID 3055432) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
PubChem CID3055432
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cnc(N(C)C)nc1OC
InChIInChI=1S/C15H25N5O2/c1-5-20-8-6-7-11(20)9-16-13(21)12-10-17-15(19(2)3)18-14(12)22-4/h10-11H,5-9H2,1-4H3,(H,16,21)
InChIKeyPQBAJPIJGUWMTD-UHFFFAOYSA-N
XLogP0.77
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-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 2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide (CID 3055432) is 2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide is CCN1CCCC1CNC(=O)c1cnc(N(C)C)nc1OC.
What is the InChIKey of 2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide?
The InChIKey is PQBAJPIJGUWMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-5-20-8-6-7-11(20)9-16-13(21)12-10-17-15(19(2)3)18-14(12)22-4/h10-11H,5-9H2,1-4H3,(H,16,21).
What are the key properties of 2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide?
2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 3055432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).