1-(4-cyclopropyl-3-pyridinyl)-3-(2-methylpyrimidin-4-yl)imidazolidin-2-one

C16H17N5O — CID 70984599

IUPAC1-(4-cyclopropyl-3-pyridinyl)-3-(2-methylpyrimidin-4-yl)imidazolidin-2-one
SMILESCc1nccc(N2CCN(c3cnccc3C3CC3)C2=O)n1
InChIInChI=1S/C16H17N5O/c1-11-18-7-5-15(19-11)21-9-8-20(16(21)22)14-10-17-6-4-13(14)12-2-3-12/h4-7,10,12H,2-3,8-9H2,1H3
InChIKeyLJGNLTWMVHHHKI-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.50
Rot. Bonds3

About 1-(4-cyclopropyl-3-pyridinyl)-3-(2-methylpyrimidin-4-yl)imidazolidin-2-one

1-(4-cyclopropyl-3-pyridinyl)-3-(2-methylpyrimidin-4-yl)imidazolidin-2-one (PubChem CID 70984599) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-(4-cyclopropyl-3-pyridinyl)-3-(2-methylpyrimidin-4-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-cyclopropyl-3-pyridinyl)-3-(2-methylpyrimidin-4-yl)imidazolidin-2-one
PubChem CID70984599
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name1-(4-cyclopropyl-3-pyridinyl)-3-(2-methylpyrimidin-4-yl)imidazolidin-2-one
SMILESCc1nccc(N2CCN(c3cnccc3C3CC3)C2=O)n1
InChIInChI=1S/C16H17N5O/c1-11-18-7-5-15(19-11)21-9-8-20(16(21)22)14-10-17-6-4-13(14)12-2-3-12/h4-7,10,12H,2-3,8-9H2,1H3
InChIKeyLJGNLTWMVHHHKI-UHFFFAOYSA-N
XLogP2.50
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-3-pyridinyl)-3-(2-methylpyrimidin-4-yl)imidazolidin-2-one?
The IUPAC name of 1-(4-cyclopropyl-3-pyridinyl)-3-(2-methylpyrimidin-4-yl)imidazolidin-2-one (CID 70984599) is 1-(4-cyclopropyl-3-pyridinyl)-3-(2-methylpyrimidin-4-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-cyclopropyl-3-pyridinyl)-3-(2-methylpyrimidin-4-yl)imidazolidin-2-one?
The canonical SMILES for 1-(4-cyclopropyl-3-pyridinyl)-3-(2-methylpyrimidin-4-yl)imidazolidin-2-one is Cc1nccc(N2CCN(c3cnccc3C3CC3)C2=O)n1.
What is the InChIKey of 1-(4-cyclopropyl-3-pyridinyl)-3-(2-methylpyrimidin-4-yl)imidazolidin-2-one?
The InChIKey is LJGNLTWMVHHHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11-18-7-5-15(19-11)21-9-8-20(16(21)22)14-10-17-6-4-13(14)12-2-3-12/h4-7,10,12H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-cyclopropyl-3-pyridinyl)-3-(2-methylpyrimidin-4-yl)imidazolidin-2-one?
1-(4-cyclopropyl-3-pyridinyl)-3-(2-methylpyrimidin-4-yl)imidazolidin-2-one has a molecular weight of 295.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-3-pyridinyl)-3-(2-methylpyrimidin-4-yl)imidazolidin-2-one is sourced from PubChem (CID 70984599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).