3-[butyl(methyl)amino]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)propanamide

C13H22N4O2 — CID 136782503

IUPAC3-[butyl(methyl)amino]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C13H22N4O2/c1-4-5-7-17(3)8-6-12(18)16-11-9-13(19)15-10(2)14-11/h9H,4-8H2,1-3H3,(H2,14,15,16,18,19)
InChIKeyDHVNMWYYDFLUJB-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.14
Rot. Bonds7

About 3-[butyl(methyl)amino]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)propanamide

3-[butyl(methyl)amino]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)propanamide (PubChem CID 136782503) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)propanamide
PubChem CID136782503
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-[butyl(methyl)amino]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)propanamide
SMILESCCCCN(C)CCC(=O)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C13H22N4O2/c1-4-5-7-17(3)8-6-12(18)16-11-9-13(19)15-10(2)14-11/h9H,4-8H2,1-3H3,(H2,14,15,16,18,19)
InChIKeyDHVNMWYYDFLUJB-UHFFFAOYSA-N
XLogP1.14
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(butylamino)-2-methyl-1H-pyrimidin-6-one
CID 135818517
2-propyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136278176
2-(2-aminoethyl)-4-(dimethylamino)-1H-pyrimidin-6-one
CID 136316427
2-(3-aminopropyl)-4-(dimethylamino)-1H-pyrimidin-6-one
CID 136316813
2-(2-aminoethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136326818
3-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136671884
4-(5-aminopentylamino)-2-methyl-1H-pyrimidin-6-one
CID 136689848
4-(5-aminopentylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136689851
2-[ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136713551
4-[3-(dimethylamino)propyl-ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136752199
2-cyclopropyl-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752201
4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136752203

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)propanamide?
The IUPAC name of 3-[butyl(methyl)amino]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)propanamide (CID 136782503) is 3-[butyl(methyl)amino]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)propanamide.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)propanamide?
The canonical SMILES for 3-[butyl(methyl)amino]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)propanamide is CCCCN(C)CCC(=O)Nc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 3-[butyl(methyl)amino]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)propanamide?
The InChIKey is DHVNMWYYDFLUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-5-7-17(3)8-6-12(18)16-11-9-13(19)15-10(2)14-11/h9H,4-8H2,1-3H3,(H2,14,15,16,18,19).
What are the key properties of 3-[butyl(methyl)amino]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)propanamide?
3-[butyl(methyl)amino]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)propanamide is sourced from PubChem (CID 136782503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).