1-(4-cyclopropyl-3-pyridinyl)-3-(6-methoxypyrimidin-4-yl)imidazolidin-2-one

C16H17N5O2 — CID 70982437

IUPAC1-(4-cyclopropyl-3-pyridinyl)-3-(6-methoxypyrimidin-4-yl)imidazolidin-2-one
SMILESCOc1cc(N2CCN(c3cnccc3C3CC3)C2=O)ncn1
InChIInChI=1S/C16H17N5O2/c1-23-15-8-14(18-10-19-15)21-7-6-20(16(21)22)13-9-17-5-4-12(13)11-2-3-11/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyQYKNWBRADIHJIL-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.20
Rot. Bonds4

About 1-(4-cyclopropyl-3-pyridinyl)-3-(6-methoxypyrimidin-4-yl)imidazolidin-2-one

1-(4-cyclopropyl-3-pyridinyl)-3-(6-methoxypyrimidin-4-yl)imidazolidin-2-one (PubChem CID 70982437) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-(4-cyclopropyl-3-pyridinyl)-3-(6-methoxypyrimidin-4-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-cyclopropyl-3-pyridinyl)-3-(6-methoxypyrimidin-4-yl)imidazolidin-2-one
PubChem CID70982437
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name1-(4-cyclopropyl-3-pyridinyl)-3-(6-methoxypyrimidin-4-yl)imidazolidin-2-one
SMILESCOc1cc(N2CCN(c3cnccc3C3CC3)C2=O)ncn1
InChIInChI=1S/C16H17N5O2/c1-23-15-8-14(18-10-19-15)21-7-6-20(16(21)22)13-9-17-5-4-12(13)11-2-3-11/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyQYKNWBRADIHJIL-UHFFFAOYSA-N
XLogP2.20
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-3-pyridinyl)-3-(6-methoxypyrimidin-4-yl)imidazolidin-2-one?
The IUPAC name of 1-(4-cyclopropyl-3-pyridinyl)-3-(6-methoxypyrimidin-4-yl)imidazolidin-2-one (CID 70982437) is 1-(4-cyclopropyl-3-pyridinyl)-3-(6-methoxypyrimidin-4-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-cyclopropyl-3-pyridinyl)-3-(6-methoxypyrimidin-4-yl)imidazolidin-2-one?
The canonical SMILES for 1-(4-cyclopropyl-3-pyridinyl)-3-(6-methoxypyrimidin-4-yl)imidazolidin-2-one is COc1cc(N2CCN(c3cnccc3C3CC3)C2=O)ncn1.
What is the InChIKey of 1-(4-cyclopropyl-3-pyridinyl)-3-(6-methoxypyrimidin-4-yl)imidazolidin-2-one?
The InChIKey is QYKNWBRADIHJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-23-15-8-14(18-10-19-15)21-7-6-20(16(21)22)13-9-17-5-4-12(13)11-2-3-11/h4-5,8-11H,2-3,6-7H2,1H3.
What are the key properties of 1-(4-cyclopropyl-3-pyridinyl)-3-(6-methoxypyrimidin-4-yl)imidazolidin-2-one?
1-(4-cyclopropyl-3-pyridinyl)-3-(6-methoxypyrimidin-4-yl)imidazolidin-2-one has a molecular weight of 311.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-3-pyridinyl)-3-(6-methoxypyrimidin-4-yl)imidazolidin-2-one is sourced from PubChem (CID 70982437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).