2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide

C9H14N4O2 — CID 136843230

IUPAC2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCC(C)(CNc1cc(=O)[nH]cn1)C(N)=O
InChIInChI=1S/C9H14N4O2/c1-9(2,8(10)15)4-11-6-3-7(14)13-5-12-6/h3,5H,4H2,1-2H3,(H2,10,15)(H2,11,12,13,14)
InChIKeyXIYKTRQMIZXRCQ-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.31
Rot. Bonds4

About 2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide

2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136843230) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136843230
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCC(C)(CNc1cc(=O)[nH]cn1)C(N)=O
InChIInChI=1S/C9H14N4O2/c1-9(2,8(10)15)4-11-6-3-7(14)13-5-12-6/h3,5H,4H2,1-2H3,(H2,10,15)(H2,11,12,13,14)
InChIKeyXIYKTRQMIZXRCQ-UHFFFAOYSA-N
XLogP-0.31
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
2-methyl-N-(1-methyl-6-oxopyrimidin-4-yl)propanamide
CID 132218248
4-(propylamino)-1H-pyrimidin-6-one
CID 136291322
5-methyl-4-(propylamino)-1H-pyrimidin-6-one
CID 136291337
4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 136650100
4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 136955962
4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136957461
2-amino-6-(isobutylamino)pyrimidin-4(3H)-one
CID 135410180
3-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136671881
4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752202
4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768846
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794238

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide (CID 136843230) is 2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide is CC(C)(CNc1cc(=O)[nH]cn1)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is XIYKTRQMIZXRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-9(2,8(10)15)4-11-6-3-7(14)13-5-12-6/h3,5H,4H2,1-2H3,(H2,10,15)(H2,11,12,13,14).
What are the key properties of 2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 210.24 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136843230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).