2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide

C12H20N4O2 — CID 137009371

IUPAC2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCCc1nc(N(C)CC(=O)NC(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-5-9-14-10(6-11(17)15-9)16(4)7-12(18)13-8(2)3/h6,8H,5,7H2,1-4H3,(H,13,18)(H,14,15,17)
InChIKeyVEKVYDGKQVFDNO-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.29
Rot. Bonds5

About 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide

2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide (PubChem CID 137009371) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
PubChem CID137009371
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
SMILESCCc1nc(N(C)CC(=O)NC(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-5-9-14-10(6-11(17)15-9)16(4)7-12(18)13-8(2)3/h6,8H,5,7H2,1-4H3,(H,13,18)(H,14,15,17)
InChIKeyVEKVYDGKQVFDNO-UHFFFAOYSA-N
XLogP0.29
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanethioamide
CID 136973145
4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136989504
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 137009356
2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 137009906
2-[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80938390
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80820844
2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 80961506
2-ethyl-4-[(3-hydroxycyclobutyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136989602
2-[methyl(pyrazin-2-yl)amino]-N-propan-2-ylacetamide
CID 39877236
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid
CID 136958573
2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80964094
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80960605

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide (CID 137009371) is 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide is CCc1nc(N(C)CC(=O)NC(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
The InChIKey is VEKVYDGKQVFDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-9-14-10(6-11(17)15-9)16(4)7-12(18)13-8(2)3/h6,8H,5,7H2,1-4H3,(H,13,18)(H,14,15,17).
What are the key properties of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide?
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide has a molecular weight of 252.32 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 137009371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).