N,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide

C14H22N4O2 — CID 136876817

IUPACN,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C14H22N4O2/c1-9(2)12-16-10(7-11(19)17-12)18-6-5-14(3,8-18)13(20)15-4/h7,9H,5-6,8H2,1-4H3,(H,15,20)(H,16,17,19)
InChIKeyOAUQHWJZODUZFA-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.86
Rot. Bonds3

About N,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide

N,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 136876817) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID136876817
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C14H22N4O2/c1-9(2)12-16-10(7-11(19)17-12)18-6-5-14(3,8-18)13(20)15-4/h7,9H,5-6,8H2,1-4H3,(H,15,20)(H,16,17,19)
InChIKeyOAUQHWJZODUZFA-UHFFFAOYSA-N
XLogP0.86
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 136876817) is N,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2cc(=O)[nH]c(C(C)C)n2)C1.
What is the InChIKey of N,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is OAUQHWJZODUZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9(2)12-16-10(7-11(19)17-12)18-6-5-14(3,8-18)13(20)15-4/h7,9H,5-6,8H2,1-4H3,(H,15,20)(H,16,17,19).
What are the key properties of N,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide?
N,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 136876817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).