N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide

C14H20N4O — CID 109361162

IUPACN-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)NC2CCCC2)nc(C)n1
InChIInChI=1S/C14H20N4O/c1-3-8-15-13-9-12(16-10(2)17-13)14(19)18-11-6-4-5-7-11/h3,9,11H,1,4-8H2,2H3,(H,18,19)(H,15,16,17)
InChIKeyVCDHHZAEIRTZLB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.06
Rot. Bonds5

About N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide

N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide (PubChem CID 109361162) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
PubChem CID109361162
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
SMILESC=CCNc1cc(C(=O)NC2CCCC2)nc(C)n1
InChIInChI=1S/C14H20N4O/c1-3-8-15-13-9-12(16-10(2)17-13)14(19)18-11-6-4-5-7-11/h3,9,11H,1,4-8H2,2H3,(H,18,19)(H,15,16,17)
InChIKeyVCDHHZAEIRTZLB-UHFFFAOYSA-N
XLogP2.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.06
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

N-cyclohexyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339420
N-cycloheptyl-6-[2-(cyclohexen-1-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109364455
N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 109361040
2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361234
N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109363938
N-cycloheptyl-2-methyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368740
N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109363336
2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361248
N-cyclopentyl-6-(3,5-dichloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109363415
N-(2,5-dimethylphenyl)-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361253
N-cyclopentyl-6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109363323
N-(4-tert-butylphenyl)-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361268

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide (CID 109361162) is N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide is C=CCNc1cc(C(=O)NC2CCCC2)nc(C)n1.
What is the InChIKey of N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
The InChIKey is VCDHHZAEIRTZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-8-15-13-9-12(16-10(2)17-13)14(19)18-11-6-4-5-7-11/h3,9,11H,1,4-8H2,2H3,(H,18,19)(H,15,16,17).
What are the key properties of N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide?
N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109361162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).