N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide

C9H14N4O2 — CID 136956102

IUPACN-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H14N4O2/c1-6-12-8(5-9(15)13-6)11-4-3-10-7(2)14/h5H,3-4H2,1-2H3,(H,10,14)(H2,11,12,13,15)
InChIKeyCBRVIQXZFNPPLK-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.37
Rot. Bonds4

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

N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 136956102) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID136956102
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H14N4O2/c1-6-12-8(5-9(15)13-6)11-4-3-10-7(2)14/h5H,3-4H2,1-2H3,(H,10,14)(H2,11,12,13,15)
InChIKeyCBRVIQXZFNPPLK-UHFFFAOYSA-N
XLogP-0.37
TPSA86.88 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 ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide
CID 136956188
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 137015567
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136955912
N,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 137015428
4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
2-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethoxy]acetamide
CID 136805706
2-methyl-4-(5-methylhexylamino)-1H-pyrimidin-6-one
CID 136957022
4-(2-cyclopropylethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956867
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 45497026

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide (CID 136956102) is N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide is CC(=O)NCCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is CBRVIQXZFNPPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-12-8(5-9(15)13-6)11-4-3-10-7(2)14/h5H,3-4H2,1-2H3,(H,10,14)(H2,11,12,13,15).
What are the key properties of N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide?
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 210.24 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 136956102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).