3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione

C16H21N5O3 — CID 154882570

IUPAC3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1ccnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)n1
InChIInChI=1S/C16H21N5O3/c1-24-13-4-7-17-15(18-13)19-8-5-11(6-9-19)20-10-14(22)21(16(20)23)12-2-3-12/h4,7,11-12H,2-3,5-6,8-10H2,1H3
InChIKeyKRTMLVWCWORFHS-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.88
Rot. Bonds4

About 3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione

3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 154882570) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID154882570
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1ccnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)n1
InChIInChI=1S/C16H21N5O3/c1-24-13-4-7-17-15(18-13)19-8-5-11(6-9-19)20-10-14(22)21(16(20)23)12-2-3-12/h4,7,11-12H,2-3,5-6,8-10H2,1H3
InChIKeyKRTMLVWCWORFHS-UHFFFAOYSA-N
XLogP0.88
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione with MolForge

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Related Compounds

1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one
CID 95557149
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine
CID 24737031
4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 51104275
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
CID 97343887
3-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941234
(2S)-1-[1-(4-methoxypyrimidin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 125147498
trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol
CID 167811246
3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 154853548
4-methoxy-2-[4-(thiolan-3-yl)piperazin-1-yl]pyrimidine
CID 131891424
5-(4-methoxypyrimidin-2-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 146078034

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione (CID 154882570) is 3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione is COc1ccnc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)n1.
What is the InChIKey of 3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is KRTMLVWCWORFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-24-13-4-7-17-15(18-13)19-8-5-11(6-9-19)20-10-14(22)21(16(20)23)12-2-3-12/h4,7,11-12H,2-3,5-6,8-10H2,1H3.
What are the key properties of 3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione?
3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 331.38 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 154882570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).