2-cyclopropyl-4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one

C16H23N3O2 — CID 138004707

IUPAC2-cyclopropyl-4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCC(C)CC1CCCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H23N3O2/c1-10(2)8-12-4-3-7-19(12)16(21)13-9-14(20)18-15(17-13)11-5-6-11/h9-12H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyHKPNTGWMYILNBW-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.30
Rot. Bonds4

About 2-cyclopropyl-4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 138004707) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID138004707
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-cyclopropyl-4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCC(C)CC1CCCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H23N3O2/c1-10(2)8-12-4-3-7-19(12)16(21)13-9-14(20)18-15(17-13)11-5-6-11/h9-12H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyHKPNTGWMYILNBW-UHFFFAOYSA-N
XLogP2.30
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one (CID 138004707) is 2-cyclopropyl-4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one is CC(C)CC1CCCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is HKPNTGWMYILNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)8-12-4-3-7-19(12)16(21)13-9-14(20)18-15(17-13)11-5-6-11/h9-12H,3-8H2,1-2H3,(H,17,18,20).
What are the key properties of 2-cyclopropyl-4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 289.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-(2-methylpropyl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 138004707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).