N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide

C11H16N4O — CID 109338241

IUPACN-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(NCCC)ncn1
InChIInChI=1S/C11H16N4O/c1-3-5-12-10-7-9(14-8-15-10)11(16)13-6-4-2/h4,7-8H,2-3,5-6H2,1H3,(H,13,16)(H,12,14,15)
InChIKeyMXKWLZKABIQDPD-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.21
Rot. Bonds6

About N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide

N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109338241) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide
PubChem CID109338241
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(NCCC)ncn1
InChIInChI=1S/C11H16N4O/c1-3-5-12-10-7-9(14-8-15-10)11(16)13-6-4-2/h4,7-8H,2-3,5-6H2,1H3,(H,13,16)(H,12,14,15)
InChIKeyMXKWLZKABIQDPD-UHFFFAOYSA-N
XLogP1.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339651
6-(butylamino)-N-propylpyrimidine-4-carboxamide
CID 109338441
4-N-prop-2-enyl-6-N-propylpyrimidine-4,6-diamine
CID 112854486
N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338316
N-prop-2-enyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109339717
N,N-dipropyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338325
6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339707
N-prop-2-enyl-6-[2-(4-sulfamoylphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109339662
6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109338279
6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339637
N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338344
6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109344114

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide (CID 109338241) is N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide is C=CCNC(=O)c1cc(NCCC)ncn1.
What is the InChIKey of N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is MXKWLZKABIQDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-5-12-10-7-9(14-8-15-10)11(16)13-6-4-2/h4,7-8H,2-3,5-6H2,1H3,(H,13,16)(H,12,14,15).
What are the key properties of N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide?
N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-6-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109338241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).