3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione

C19H22N6O2 — CID 154853548

IUPAC3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1nc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c2ccncc2n1
InChIInChI=1S/C19H22N6O2/c1-12-21-16-10-20-7-4-15(16)18(22-12)23-8-5-13(6-9-23)24-11-17(26)25(19(24)27)14-2-3-14/h4,7,10,13-14H,2-3,5-6,8-9,11H2,1H3
InChIKeyXQNDSDJBSNFQNZ-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.73
Rot. Bonds3

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

3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 154853548) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID154853548
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1nc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c2ccncc2n1
InChIInChI=1S/C19H22N6O2/c1-12-21-16-10-20-7-4-15(16)18(22-12)23-8-5-13(6-9-23)24-11-17(26)25(19(24)27)14-2-3-14/h4,7,10,13-14H,2-3,5-6,8-9,11H2,1H3
InChIKeyXQNDSDJBSNFQNZ-UHFFFAOYSA-N
XLogP1.73
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(7r)-8-Cyclopentyl-7-Ethyl-5-Methyl-2-(2-Phenyl-1h-Imidazol-1-Yl)-7,8-Dihydropteridin-6(5h)-One
CID 58405631
1-[(1R,5S)-6-(2-methyl-5-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 146316177
2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
CID 10691006
(R)-7-ethyl-8-isopropyl-5-methyl-2-(2-phenyl-1H-imidazol-1-yl)-7,8-dihydropteridin-6(5H)-one
CID 58405292
(7R)-7-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-8-(3,3,3-trifluoropropyl)-7H-pteridin-6-one
CID 58405323
7-ethyl-8-(4-fluorophenyl)-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-7H-pteridin-6-one
CID 58405571
(R)-8-cyclopentyl-7-ethyl-2-(1H-indol-1-yl)-5-methyl-7,8-dihydropteridin-6(5H)-one
CID 58405790
1-[(3S)-3-[[2-anilino-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 141494019
N-[(3S)-1-[2-anilino-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-yl]prop-2-enamide
CID 141494026
1-[(3R)-3-[[2-anilino-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[3,4-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 141494057
N-[(3R)-1-[2-anilino-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-yl]prop-2-enamide
CID 141494065
1-(1-Acetylpiperidin-4-yl)-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379496

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione (CID 154853548) is 3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione is Cc1nc(N2CCC(N3CC(=O)N(C4CC4)C3=O)CC2)c2ccncc2n1.
What is the InChIKey of 3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is XQNDSDJBSNFQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12-21-16-10-20-7-4-15(16)18(22-12)23-8-5-13(6-9-23)24-11-17(26)25(19(24)27)14-2-3-14/h4,7,10,13-14H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of 3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione?
3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 366.43 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 154853548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).