Valeramide, 2-propyl-N-(2-pyrimidinyl)-

C12H19N3O — CID 88962

IUPAC2-propyl-N-pyrimidin-2-ylpentanamide
SMILESCCCC(CCC)C(=O)NC1=NC=CC=N1
InChIInChI=1S/C12H19N3O/c1-3-6-10(7-4-2)11(16)15-12-13-8-5-9-14-12/h5,8-10H,3-4,6-7H2,1-2H3,(H,13,14,15,16)
InChIKeyAQAWTFCMNPKTDA-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.10
Rot. Bonds6

About Valeramide, 2-propyl-N-(2-pyrimidinyl)-

Valeramide, 2-propyl-N-(2-pyrimidinyl)- (PubChem CID 88962) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-propyl-N-pyrimidin-2-ylpentanamide.

Molecular Properties

Compound NameValeramide, 2-propyl-N-(2-pyrimidinyl)-
PubChem CID88962
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-propyl-N-pyrimidin-2-ylpentanamide
SMILESCCCC(CCC)C(=O)NC1=NC=CC=N1
InChIInChI=1S/C12H19N3O/c1-3-6-10(7-4-2)11(16)15-12-13-8-5-9-14-12/h5,8-10H,3-4,6-7H2,1-2H3,(H,13,14,15,16)
InChIKeyAQAWTFCMNPKTDA-UHFFFAOYSA-N
XLogP2.10
TPSA54.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity196

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetoacetamidopyrimidine
CID 249238
2-Acetamidopyrimidine
CID 273584
N-pyrimidin-2-yladamantane-1-carboxamide
CID 331249
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid cycloheptylamide
CID 3223374
N-(pyrimidin-2-yl)cyclohexanecarboxamide
CID 819233
N-pyrimidin-2-ylundec-10-enamide
CID 1725648
N-(pyrimidin-2-yl)dodecanamide
CID 4599879
N-(pyrimidin-2-yl)-2,2-bis(trifluoromethyl)butanamide
CID 659676
2,2-dimethyl-N-(pyrimidin-2-yl)propanamide
CID 3524781
N-(2-pyrimidyl) butanamide
CID 4220870
N-(pyrimidin-2-yl)hexanamide
CID 4250539
3-methyl-N-pyrimidin-2-ylbutanamide
CID 4380196

Frequently Asked Questions

What is the IUPAC name of Valeramide, 2-propyl-N-(2-pyrimidinyl)-?
The IUPAC name of Valeramide, 2-propyl-N-(2-pyrimidinyl)- (CID 88962) is 2-propyl-N-pyrimidin-2-ylpentanamide.
What is the SMILES notation for Valeramide, 2-propyl-N-(2-pyrimidinyl)-?
The canonical SMILES for Valeramide, 2-propyl-N-(2-pyrimidinyl)- is CCCC(CCC)C(=O)NC1=NC=CC=N1.
What is the InChIKey of Valeramide, 2-propyl-N-(2-pyrimidinyl)-?
The InChIKey is AQAWTFCMNPKTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-6-10(7-4-2)11(16)15-12-13-8-5-9-14-12/h5,8-10H,3-4,6-7H2,1-2H3,(H,13,14,15,16).
What are the key properties of Valeramide, 2-propyl-N-(2-pyrimidinyl)-?
Valeramide, 2-propyl-N-(2-pyrimidinyl)- has a molecular weight of 221.30 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Valeramide, 2-propyl-N-(2-pyrimidinyl)- is sourced from PubChem (CID 88962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).