N-(4,4-dimethylpentyl)pyrimidine-5-carboxamide

C12H19N3O — CID 130266298

IUPACN-(4,4-dimethylpentyl)pyrimidine-5-carboxamide
SMILESCC(C)(C)CCCNC(=O)c1cncnc1
InChIInChI=1S/C12H19N3O/c1-12(2,3)5-4-6-15-11(16)10-7-13-9-14-8-10/h7-9H,4-6H2,1-3H3,(H,15,16)
InChIKeyQKRPBHGONBSCNU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.03
Rot. Bonds4

About N-(4,4-dimethylpentyl)pyrimidine-5-carboxamide

N-(4,4-dimethylpentyl)pyrimidine-5-carboxamide (PubChem CID 130266298) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)pyrimidine-5-carboxamide
PubChem CID130266298
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(4,4-dimethylpentyl)pyrimidine-5-carboxamide
SMILESCC(C)(C)CCCNC(=O)c1cncnc1
InChIInChI=1S/C12H19N3O/c1-12(2,3)5-4-6-15-11(16)10-7-13-9-14-8-10/h7-9H,4-6H2,1-3H3,(H,15,16)
InChIKeyQKRPBHGONBSCNU-UHFFFAOYSA-N
XLogP2.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloropentyl)pyrimidine-5-carboxamide
CID 106129425
N-(4-hydroxy-2,2-dimethylbutyl)pyrimidine-5-carboxamide
CID 104629634
N-(4,4-dimethylpentyl)furan-3-carboxamide
CID 20774387
N-[(E)-pent-3-enyl]pyrimidine-5-carboxamide
CID 104626323
N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 68891384
N-(2-cyanoethyl)pyrimidine-5-carboxamide
CID 102921796
N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 69129380
1-tert-butyl-4-(4-tert-butylphenoxy)benzene;N-(2-hydroxyethyl)pyrimidine-5-carboxamide
CID 70417137
N-(4,4-dimethylpentyl)-4-pyrrolidin-1-ylbenzamide
CID 110617789
N-(3-chloropentyl)pyrimidine-5-carboxamide
CID 102922848
N-(4,4-dimethylpentyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 130266249
N-(4-chloro-2-methylbutan-2-yl)pyrimidine-5-carboxamide
CID 102922852

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4,4-dimethylpentyl)pyrimidine-5-carboxamide (CID 130266298) is N-(4,4-dimethylpentyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4,4-dimethylpentyl)pyrimidine-5-carboxamide is CC(C)(C)CCCNC(=O)c1cncnc1.
What is the InChIKey of N-(4,4-dimethylpentyl)pyrimidine-5-carboxamide?
The InChIKey is QKRPBHGONBSCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)5-4-6-15-11(16)10-7-13-9-14-8-10/h7-9H,4-6H2,1-3H3,(H,15,16).
What are the key properties of N-(4,4-dimethylpentyl)pyrimidine-5-carboxamide?
N-(4,4-dimethylpentyl)pyrimidine-5-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 130266298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).