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

C13H22N4O2 — CID 136843234

IUPACN,2,2-trimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
SMILESCNC(=O)C(C)(C)CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C13H22N4O2/c1-8(2)11-16-9(6-10(18)17-11)15-7-13(3,4)12(19)14-5/h6,8H,7H2,1-5H3,(H,14,19)(H2,15,16,17,18)
InChIKeyIQTCOWSEDDAZQY-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.08
Rot. Bonds5

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

N,2,2-trimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide (PubChem CID 136843234) has the molecular formula C13H22N4O2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
PubChem CID136843234
Molecular FormulaC13H22N4O2
Molecular Weight266.35 g/mol
Exact Mass266.17
IUPAC NameN,2,2-trimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
SMILESCNC(=O)C(C)(C)CNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C13H22N4O2/c1-8(2)11-16-9(6-10(18)17-11)15-7-13(3,4)12(19)14-5/h6,8H,7H2,1-5H3,(H,14,19)(H2,15,16,17,18)
InChIKeyIQTCOWSEDDAZQY-UHFFFAOYSA-N
XLogP1.08
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide (CID 136843234) is N,2,2-trimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide is CNC(=O)C(C)(C)CNc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of N,2,2-trimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
The InChIKey is IQTCOWSEDDAZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8(2)11-16-9(6-10(18)17-11)15-7-13(3,4)12(19)14-5/h6,8H,7H2,1-5H3,(H,14,19)(H2,15,16,17,18).
What are the key properties of N,2,2-trimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide?
N,2,2-trimethyl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide has a molecular weight of 266.35 g/mol, XLogP of 1.08, 5 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-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 136843234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).