N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide

C14H22N4O — CID 109361040

IUPACN-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1cc(C(=O)NC2CC2)nc(C)n1
InChIInChI=1S/C14H22N4O/c1-3-4-5-8-15-13-9-12(16-10(2)17-13)14(19)18-11-6-7-11/h9,11H,3-8H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyDUQOUMVUKCMGGK-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.28
Rot. Bonds7

About N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide

N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide (PubChem CID 109361040) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
PubChem CID109361040
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1cc(C(=O)NC2CC2)nc(C)n1
InChIInChI=1S/C14H22N4O/c1-3-4-5-8-15-13-9-12(16-10(2)17-13)14(19)18-11-6-7-11/h9,11H,3-8H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyDUQOUMVUKCMGGK-UHFFFAOYSA-N
XLogP2.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[6-(butylamino)-2-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109361602
6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 109366606
N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80835175
N-(2,6-dichlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846794
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109360992
N-cyclopropyl-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109361002
N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361162
N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846733
N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846701
N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846721
N-(3,4-difluorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846806
6-(butylamino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109361556

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide (CID 109361040) is N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide is CCCCCNc1cc(C(=O)NC2CC2)nc(C)n1.
What is the InChIKey of N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide?
The InChIKey is DUQOUMVUKCMGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-4-5-8-15-13-9-12(16-10(2)17-13)14(19)18-11-6-7-11/h9,11H,3-8H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide?
N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109361040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).