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

C8H12N4O2 — CID 135978447

IUPAC2-[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]acetamide
SMILESCNCc1cc(=O)[nH]c(CC(N)=O)n1
InChIInChI=1S/C8H12N4O2/c1-10-4-5-2-8(14)12-7(11-5)3-6(9)13/h2,10H,3-4H2,1H3,(H2,9,13)(H,11,12,14)
InChIKeyXIUZPKFHIYWAJL-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.48
Rot. Bonds4

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

2-[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]acetamide (PubChem CID 135978447) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]acetamide
PubChem CID135978447
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]acetamide
SMILESCNCc1cc(=O)[nH]c(CC(N)=O)n1
InChIInChI=1S/C8H12N4O2/c1-10-4-5-2-8(14)12-7(11-5)3-6(9)13/h2,10H,3-4H2,1H3,(H2,9,13)(H,11,12,14)
InChIKeyXIUZPKFHIYWAJL-UHFFFAOYSA-N
XLogP-1.48
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Diethylaminomethyl)-4-hydroxy-2-methylpyrimidine
CID 135508651
2-(Aminomethyl)-6-methylpyrimidin-4-ol
CID 135714975
N-((6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)methyl)acetamide
CID 136208150
N-(1-(6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)ethyl)acetamide
CID 136245430
N~2~,N~2~-diethyl-N~1~-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]glycinamide
CID 136663687
N~1~-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-L-norvalinamide
CID 136664961
N-isopropyl-N-methyl-N'-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]sulfamide
CID 137242283
2-methyl-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]propanamide
CID 137179767
3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methylamino]propanoic acid
CID 137286215
2-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide
CID 137301596
4-(methylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 135978395
4-[(propan-2-ylamino)methyl]-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136095368

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]acetamide?
The IUPAC name of 2-[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]acetamide (CID 135978447) is 2-[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]acetamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]acetamide?
The canonical SMILES for 2-[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]acetamide is CNCc1cc(=O)[nH]c(CC(N)=O)n1.
What is the InChIKey of 2-[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]acetamide?
The InChIKey is XIUZPKFHIYWAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-10-4-5-2-8(14)12-7(11-5)3-6(9)13/h2,10H,3-4H2,1H3,(H2,9,13)(H,11,12,14).
What are the key properties of 2-[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]acetamide?
2-[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]acetamide has a molecular weight of 196.21 g/mol, XLogP of -1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]acetamide is sourced from PubChem (CID 135978447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).