3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione

C13H15N3O2 — CID 110245816

IUPAC3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione
SMILESCC1(c2ccncc2)NC(=O)N(CC2CC2)C1=O
InChIInChI=1S/C13H15N3O2/c1-13(10-4-6-14-7-5-10)11(17)16(12(18)15-13)8-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H,15,18)
InChIKeyWEBXJZNSCBYGHK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.26
Rot. Bonds3

About 3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione

3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione (PubChem CID 110245816) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione
PubChem CID110245816
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione
SMILESCC1(c2ccncc2)NC(=O)N(CC2CC2)C1=O
InChIInChI=1S/C13H15N3O2/c1-13(10-4-6-14-7-5-10)11(17)16(12(18)15-13)8-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H,15,18)
InChIKeyWEBXJZNSCBYGHK-UHFFFAOYSA-N
XLogP1.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-[(1,1-dioxothian-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 97247001
5-methyl-3-(2-phenylethyl)-5-pyridin-4-ylimidazolidine-2,4-dione
CID 110226505
5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
CID 82148872
5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyridin-4-ylimidazolidine-2,4-dione
CID 110226506
5-methyl-5-(4-methylphenyl)-3-[2-oxo-2-(2-pyridin-4-ylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 43048123
5-(4-tert-butylphenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione
CID 112774193
N-(cyclopropylmethyl)-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 33458916
5-(4-tert-butylphenyl)-5-methyl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione
CID 75858248
(5S)-5-methyl-3-[[(2R)-oxolan-2-yl]methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 8643587
(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 8643575
3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 18171161
N,N-dicyclohexyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42964935

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione?
The IUPAC name of 3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione (CID 110245816) is 3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione is CC1(c2ccncc2)NC(=O)N(CC2CC2)C1=O.
What is the InChIKey of 3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione?
The InChIKey is WEBXJZNSCBYGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-13(10-4-6-14-7-5-10)11(17)16(12(18)15-13)8-9-2-3-9/h4-7,9H,2-3,8H2,1H3,(H,15,18).
What are the key properties of 3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione?
3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione has a molecular weight of 245.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 110245816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).