2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide

C9H14N4O2 — CID 136973538

IUPAC2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide
SMILESCC(C)c1nc(NCC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c1-5(2)9-12-7(3-8(15)13-9)11-4-6(10)14/h3,5H,4H2,1-2H3,(H2,10,14)(H2,11,12,13,15)
InChIKeyNFANNTQDOHFYAI-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.21
Rot. Bonds4

About 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide

2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide (PubChem CID 136973538) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide
PubChem CID136973538
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide
SMILESCC(C)c1nc(NCC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O2/c1-5(2)9-12-7(3-8(15)13-9)11-4-6(10)14/h3,5H,4H2,1-2H3,(H2,10,14)(H2,11,12,13,15)
InChIKeyNFANNTQDOHFYAI-UHFFFAOYSA-N
XLogP-0.21
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 ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetate
CID 136973721
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136955912
4-(2,2-difluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976580
4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016485
4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136820290
4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974229
methyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate
CID 137007516
4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136869173
4-[(5-amino-2,2-dimethylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136857346
4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989480
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975670
N-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
CID 136974382

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide (CID 136973538) is 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide is CC(C)c1nc(NCC(N)=O)cc(=O)[nH]1.
What is the InChIKey of 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide?
The InChIKey is NFANNTQDOHFYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-5(2)9-12-7(3-8(15)13-9)11-4-6(10)14/h3,5H,4H2,1-2H3,(H2,10,14)(H2,11,12,13,15).
What are the key properties of 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide?
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide has a molecular weight of 210.24 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 136973538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).