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

C11H18N4O2 — CID 137003214

IUPACN,2,2-trimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCNC(=O)C(C)(C)CNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H18N4O2/c1-7-14-8(5-9(16)15-7)13-6-11(2,3)10(17)12-4/h5H,6H2,1-4H3,(H,12,17)(H2,13,14,15,16)
InChIKeyJHCBUTALBQIBAD-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.26
Rot. Bonds4

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

N,2,2-trimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 137003214) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID137003214
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN,2,2-trimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
SMILESCNC(=O)C(C)(C)CNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H18N4O2/c1-7-14-8(5-9(16)15-7)13-6-11(2,3)10(17)12-4/h5H,6H2,1-4H3,(H,12,17)(H2,13,14,15,16)
InChIKeyJHCBUTALBQIBAD-UHFFFAOYSA-N
XLogP0.26
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid
CID 136972300
2-ethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]butanoic acid
CID 136972236
2-methyl-4-[(2-methyl-2-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one
CID 136977126
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136987605
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136955912
4,4-dimethyl-2-[[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 136932111
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 137015554
4-(2-cyclopropylethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956867
2-methyl-4-(5-methylhexylamino)-1H-pyrimidin-6-one
CID 136957022

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide (CID 137003214) is N,2,2-trimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is CNC(=O)C(C)(C)CNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of N,2,2-trimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is JHCBUTALBQIBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-14-8(5-9(16)15-7)13-6-11(2,3)10(17)12-4/h5H,6H2,1-4H3,(H,12,17)(H2,13,14,15,16).
What are the key properties of N,2,2-trimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide?
N,2,2-trimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 137003214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).