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

C16H16ClN5O — CID 66576487

IUPAC1-(6-chloro-2-methylpyrimidin-4-yl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
SMILESCc1nc(Cl)cc(N2CCN(c3cnccc3C3CC3)C2=O)n1
InChIInChI=1S/C16H16ClN5O/c1-10-19-14(17)8-15(20-10)22-7-6-21(16(22)23)13-9-18-5-4-12(13)11-2-3-11/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyWOOIOWWFYANQSE-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.16
Rot. Bonds3

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

1-(6-chloro-2-methylpyrimidin-4-yl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one (PubChem CID 66576487) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-(6-chloro-2-methylpyrimidin-4-yl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(6-chloro-2-methylpyrimidin-4-yl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
PubChem CID66576487
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name1-(6-chloro-2-methylpyrimidin-4-yl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one
SMILESCc1nc(Cl)cc(N2CCN(c3cnccc3C3CC3)C2=O)n1
InChIInChI=1S/C16H16ClN5O/c1-10-19-14(17)8-15(20-10)22-7-6-21(16(22)23)13-9-18-5-4-12(13)11-2-3-11/h4-5,8-9,11H,2-3,6-7H2,1H3
InChIKeyWOOIOWWFYANQSE-UHFFFAOYSA-N
XLogP3.16
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methylpyrimidin-4-yl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
The IUPAC name of 1-(6-chloro-2-methylpyrimidin-4-yl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one (CID 66576487) is 1-(6-chloro-2-methylpyrimidin-4-yl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one.
What is the SMILES notation for 1-(6-chloro-2-methylpyrimidin-4-yl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
The canonical SMILES for 1-(6-chloro-2-methylpyrimidin-4-yl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one is Cc1nc(Cl)cc(N2CCN(c3cnccc3C3CC3)C2=O)n1.
What is the InChIKey of 1-(6-chloro-2-methylpyrimidin-4-yl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
The InChIKey is WOOIOWWFYANQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-10-19-14(17)8-15(20-10)22-7-6-21(16(22)23)13-9-18-5-4-12(13)11-2-3-11/h4-5,8-9,11H,2-3,6-7H2,1H3.
What are the key properties of 1-(6-chloro-2-methylpyrimidin-4-yl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one?
1-(6-chloro-2-methylpyrimidin-4-yl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one has a molecular weight of 329.79 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methylpyrimidin-4-yl)-3-(4-cyclopropyl-3-pyridinyl)imidazolidin-2-one is sourced from PubChem (CID 66576487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).