N-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide

C13H21N3O2 — CID 142708892

IUPACN-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide
SMILESCCCCc1nc(C)c(CN(C)C(C)=O)c(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-5-6-7-12-14-9(2)11(13(18)15-12)8-16(4)10(3)17/h5-8H2,1-4H3,(H,14,15,18)
InChIKeyBYEZNOUDJMQTMN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.40
Rot. Bonds5

About N-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide

N-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide (PubChem CID 142708892) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide
PubChem CID142708892
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide
SMILESCCCCc1nc(C)c(CN(C)C(C)=O)c(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-5-6-7-12-14-9(2)11(13(18)15-12)8-16(4)10(3)17/h5-8H2,1-4H3,(H,14,15,18)
InChIKeyBYEZNOUDJMQTMN-UHFFFAOYSA-N
XLogP1.40
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-n-Butyl-5,6-dimethylpyrimidin-4(3H)-one
CID 135625454
2,6-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidine-3-carboxamide
CID 20452142
2-Butyl-6-(2,2-dimethyl-1-oxopropyl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4(3H)-one
CID 135674970
2-(2-butyl-4-hydroxy-6-methylpyrimidin-5-yl)-N,N-dimethylacetamide
CID 135741921
2-Butyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylic acid
CID 135800049
6-Acetyl-2-butyl-5,6,7,8-tetrahydro-pyrido-[4,3-d]pyrimidin-4(3H)-one
CID 136014034
2-Butyl-6-prop-2-enoyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136088695
5-Ethyl-3,6-dimethyl-2-[2-(methylamino)ethyl]pyrimidin-4-one
CID 141022529
tert-butyl 2-butyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 170353516
3-cyclopentyl-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
CID 83888981
3-(Aminomethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 105447164
3-(4,5-Dimethyl-6-oxopyrimidin-1-yl)propanamide
CID 131015419

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide?
The IUPAC name of N-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide (CID 142708892) is N-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide is CCCCc1nc(C)c(CN(C)C(C)=O)c(=O)[nH]1.
What is the InChIKey of N-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide?
The InChIKey is BYEZNOUDJMQTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-6-7-12-14-9(2)11(13(18)15-12)8-16(4)10(3)17/h5-8H2,1-4H3,(H,14,15,18).
What are the key properties of N-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide?
N-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide has a molecular weight of 251.33 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 142708892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).