2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide

C13H23N5O — CID 109246483

IUPAC2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(NCCCN(C)C)nc1
InChIInChI=1S/C13H23N5O/c1-4-6-14-12(19)11-9-16-13(17-10-11)15-7-5-8-18(2)3/h9-10H,4-8H2,1-3H3,(H,14,19)(H,15,16,17)
InChIKeyAPVAGBXAIKMKDS-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.98
Rot. Bonds8

About 2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide

2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide (PubChem CID 109246483) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide
PubChem CID109246483
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(NCCCN(C)C)nc1
InChIInChI=1S/C13H23N5O/c1-4-6-14-12(19)11-9-16-13(17-10-11)15-7-5-8-18(2)3/h9-10H,4-8H2,1-3H3,(H,14,19)(H,15,16,17)
InChIKeyAPVAGBXAIKMKDS-UHFFFAOYSA-N
XLogP0.98
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109251488
2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109253558
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109253483
N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253599
N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253568
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109253326
N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253571
2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506
2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253363
2-[3-(dimethylamino)propylamino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109253552
N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109248053

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide (CID 109246483) is 2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(NCCCN(C)C)nc1.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide?
The InChIKey is APVAGBXAIKMKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-6-14-12(19)11-9-16-13(17-10-11)15-7-5-8-18(2)3/h9-10H,4-8H2,1-3H3,(H,14,19)(H,15,16,17).
What are the key properties of 2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide?
2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 109246483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).