2-[(6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide

C9H14N4O2 — CID 136956132

IUPAC2-[(6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N4O2/c1-2-3-10-9(15)5-11-7-4-8(14)13-6-12-7/h4,6H,2-3,5H2,1H3,(H,10,15)(H2,11,12,13,14)
InChIKeyWKTXEVCMCUGVOR-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.29
Rot. Bonds5

About 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide

2-[(6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide (PubChem CID 136956132) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide
PubChem CID136956132
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-[(6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N4O2/c1-2-3-10-9(15)5-11-7-4-8(14)13-6-12-7/h4,6H,2-3,5H2,1H3,(H,10,15)(H2,11,12,13,14)
InChIKeyWKTXEVCMCUGVOR-UHFFFAOYSA-N
XLogP-0.29
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
3-Methyl-6-piperazin-1-ylpyrimidin-4-one
CID 117713852
1-(4-amino-6-oxo-1H-pyrimidin-2-yl)-3-butylurea
CID 136062932
6-(4-Methylpiperazin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136102577
4-(propylamino)-1H-pyrimidin-6-one
CID 136291322
4-[2-aminoethyl(methyl)amino]-1H-pyrimidin-6-one
CID 136977875
6-oxo-N-propyl-1H-pyrimidine-2-carboxamide
CID 172236194
4-Amino-6-oxo-1-propylpyrimidine-2-carboxamide
CID 173128226
3-ethyl-6-(ethylamino)-4(3H)-pyrimidinone
CID 12352075
N-butyl-2-(6-oxopyrimidin-1-yl)acetamide
CID 95921861
2-(4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 114582041
2-(4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide
CID 114582059

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide (CID 136956132) is 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide?
The InChIKey is WKTXEVCMCUGVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-3-10-9(15)5-11-7-4-8(14)13-6-12-7/h4,6H,2-3,5H2,1H3,(H,10,15)(H2,11,12,13,14).
What are the key properties of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide?
2-[(6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide has a molecular weight of 210.24 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyrimidin-4-yl)amino]-N-propylacetamide is sourced from PubChem (CID 136956132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).