N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide

C13H20N4O — CID 71807233

IUPACN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide
SMILESCCC(=O)Nc1c(C)nc(N2CCCC2)nc1C
InChIInChI=1S/C13H20N4O/c1-4-11(18)16-12-9(2)14-13(15-10(12)3)17-7-5-6-8-17/h4-8H2,1-3H3,(H,16,18)
InChIKeyNRLFHLLLJTWQOH-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.04
Rot. Bonds3

About N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide (PubChem CID 71807233) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide
PubChem CID71807233
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide
SMILESCCC(=O)Nc1c(C)nc(N2CCCC2)nc1C
InChIInChI=1S/C13H20N4O/c1-4-11(18)16-12-9(2)14-13(15-10(12)3)17-7-5-6-8-17/h4-8H2,1-3H3,(H,16,18)
InChIKeyNRLFHLLLJTWQOH-UHFFFAOYSA-N
XLogP2.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide?
The IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide (CID 71807233) is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide is CCC(=O)Nc1c(C)nc(N2CCCC2)nc1C.
What is the InChIKey of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide?
The InChIKey is NRLFHLLLJTWQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-11(18)16-12-9(2)14-13(15-10(12)3)17-7-5-6-8-17/h4-8H2,1-3H3,(H,16,18).
What are the key properties of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide?
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 71807233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).