4-(2-tert-butylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one

C16H23N3O2 — CID 138004724

IUPAC4-(2-tert-butylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCC(C)(C)C1CCCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)12-5-4-8-19(12)15(21)11-9-13(20)18-14(17-11)10-6-7-10/h9-10,12H,4-8H2,1-3H3,(H,17,18,20)
InChIKeyOGJMSTPTYWJRFA-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.30
Rot. Bonds2

About 4-(2-tert-butylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one

4-(2-tert-butylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 138004724) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(2-tert-butylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-tert-butylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID138004724
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-(2-tert-butylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCC(C)(C)C1CCCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)12-5-4-8-19(12)15(21)11-9-13(20)18-14(17-11)10-6-7-10/h9-10,12H,4-8H2,1-3H3,(H,17,18,20)
InChIKeyOGJMSTPTYWJRFA-UHFFFAOYSA-N
XLogP2.30
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 4-(2-tert-butylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-tert-butylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one (CID 138004724) is 4-(2-tert-butylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-tert-butylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-tert-butylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one is CC(C)(C)C1CCCN1C(=O)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-(2-tert-butylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is OGJMSTPTYWJRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)12-5-4-8-19(12)15(21)11-9-13(20)18-14(17-11)10-6-7-10/h9-10,12H,4-8H2,1-3H3,(H,17,18,20).
What are the key properties of 4-(2-tert-butylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(2-tert-butylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 289.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylpyrrolidine-1-carbonyl)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 138004724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).