2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide

C14H26N6O — CID 109252856

IUPAC2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(NCCN(C)C)nc1
InChIInChI=1S/C14H26N6O/c1-19(2)8-5-6-15-13(21)12-10-17-14(18-11-12)16-7-9-20(3)4/h10-11H,5-9H2,1-4H3,(H,15,21)(H,16,17,18)
InChIKeyBPPOLQJGZIWWGN-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.13
Rot. Bonds9

About 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide

2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide (PubChem CID 109252856) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
PubChem CID109252856
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(NCCN(C)C)nc1
InChIInChI=1S/C14H26N6O/c1-19(2)8-5-6-15-13(21)12-10-17-14(18-11-12)16-7-9-20(3)4/h10-11H,5-9H2,1-4H3,(H,15,21)(H,16,17,18)
InChIKeyBPPOLQJGZIWWGN-UHFFFAOYSA-N
XLogP0.13
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-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

Related Compounds

2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide
CID 109246483
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109251488
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109253326
2-(cycloheptylamino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253363
2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252682
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253432
2-[2-(dimethylamino)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109252869
N-cyclopentyl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109249531
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109253483
N-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109248829
N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide
CID 109252732

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide (CID 109252856) is 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide is CN(C)CCCNC(=O)c1cnc(NCCN(C)C)nc1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide?
The InChIKey is BPPOLQJGZIWWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-19(2)8-5-6-15-13(21)12-10-17-14(18-11-12)16-7-9-20(3)4/h10-11H,5-9H2,1-4H3,(H,15,21)(H,16,17,18).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide?
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 0.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109252856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).