N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide

C13H21N5O — CID 109295730

IUPACN-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
SMILESCN(C)CCCNc1nccc(C(=O)NC2CC2)n1
InChIInChI=1S/C13H21N5O/c1-18(2)9-3-7-14-13-15-8-6-11(17-13)12(19)16-10-4-5-10/h6,8,10H,3-5,7,9H2,1-2H3,(H,16,19)(H,14,15,17)
InChIKeyJJKQXHYJAUVJOU-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.73
Rot. Bonds7

About N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide

N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide (PubChem CID 109295730) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
PubChem CID109295730
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
SMILESCN(C)CCCNc1nccc(C(=O)NC2CC2)n1
InChIInChI=1S/C13H21N5O/c1-18(2)9-3-7-14-13-15-8-6-11(17-13)12(19)16-10-4-5-10/h6,8,10H,3-5,7,9H2,1-2H3,(H,16,19)(H,14,15,17)
InChIKeyJJKQXHYJAUVJOU-UHFFFAOYSA-N
XLogP0.73
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.73
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

N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109295728
N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109295724
N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109294728
2-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301703
N-cycloheptyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299667
N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109207939
N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109295787
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301688
2-[3-(dimethylamino)propylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109301852
methyl 4-[[2-[3-(dimethylamino)propylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109301809
N-(1,3-benzodioxol-5-yl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109301826
N-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109301799

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide (CID 109295730) is N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide is CN(C)CCCNc1nccc(C(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide?
The InChIKey is JJKQXHYJAUVJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-18(2)9-3-7-14-13-15-8-6-11(17-13)12(19)16-10-4-5-10/h6,8,10H,3-5,7,9H2,1-2H3,(H,16,19)(H,14,15,17).
What are the key properties of N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide?
N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109295730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).