6-[4-(cyclopropen-1-yl)-2-methylphenyl]-8-methyl-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;propan-2-imine

C24H27N5O2 — CID 144780082

IUPAC6-[4-(cyclopropen-1-yl)-2-methylphenyl]-8-methyl-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;propan-2-imine
SMILESCc1cc(C2=CC2)ccc1-c1cc2cnc(NC3COC3)nc2n(C)c1=O.[H]N=C(C)C
InChIInChI=1S/C21H20N4O2.C3H7N/c1-12-7-14(13-3-4-13)5-6-17(12)18-8-15-9-22-21(23-16-10-27-11-16)24-19(15)25(2)20(18)26;1-3(2)4/h3,5-9,16H,4,10-11H2,1-2H3,(H,22,23,24);4H,1-2H3
InChIKeyODRBUESXSONZSI-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.95
Rot. Bonds4

About 6-[4-(cyclopropen-1-yl)-2-methylphenyl]-8-methyl-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;propan-2-imine

6-[4-(cyclopropen-1-yl)-2-methylphenyl]-8-methyl-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;propan-2-imine (PubChem CID 144780082) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 6-[4-(cyclopropen-1-yl)-2-methylphenyl]-8-methyl-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;propan-2-imine.

Molecular Properties

Compound Name6-[4-(cyclopropen-1-yl)-2-methylphenyl]-8-methyl-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;propan-2-imine
PubChem CID144780082
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name6-[4-(cyclopropen-1-yl)-2-methylphenyl]-8-methyl-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;propan-2-imine
SMILESCc1cc(C2=CC2)ccc1-c1cc2cnc(NC3COC3)nc2n(C)c1=O.[H]N=C(C)C
InChIInChI=1S/C21H20N4O2.C3H7N/c1-12-7-14(13-3-4-13)5-6-17(12)18-8-15-9-22-21(23-16-10-27-11-16)24-19(15)25(2)20(18)26;1-3(2)4/h3,5-9,16H,4,10-11H2,1-2H3,(H,22,23,24);4H,1-2H3
InChIKeyODRBUESXSONZSI-UHFFFAOYSA-N
XLogP3.95
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-[4-(cyclopropen-1-yl)-2-methylphenyl]-8-methyl-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;propan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methyl-6-[2-methyl-4-[(Z)-1-(propan-2-ylideneamino)prop-1-enyl]phenyl]-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 144780010
8-methyl-6-(2-methylphenyl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162333954
2-[(4,4-dihydroxycyclohexyl)amino]-8-methyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 59913222
2-[(1-acetylpiperidin-4-yl)amino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 23551756
6-(2-chlorophenyl)-2-[[3-(hydroxymethyl)-3-methyl-1,5-dioxaspiro[5.5]undecan-9-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 23551715
8-methyl-6-(2-methylphenyl)-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 159644051
8-methyl-6-(2-methylphenyl)-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162326219
8-ethyl-6-[2-methyl-4-[4-methyl-2-(propylideneamino)hexa-1,3-dien-3-yl]phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 123809976
[4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride
CID 162319048
8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one
CID 23434577
8-[1-(2-aminoethyl)pyrrolidin-3-yl]-6-[2-chloro-4-(2-methyl-6,7-dihydro-1,3-oxazepin-4-yl)phenyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 123640900
(3R)-3-[[6-(2-methylphenyl)-7-oxo-8-[(3R)-oxolan-3-yl]pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylic acid
CID 68739676

Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclopropen-1-yl)-2-methylphenyl]-8-methyl-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;propan-2-imine?
The IUPAC name of 6-[4-(cyclopropen-1-yl)-2-methylphenyl]-8-methyl-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;propan-2-imine (CID 144780082) is 6-[4-(cyclopropen-1-yl)-2-methylphenyl]-8-methyl-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;propan-2-imine.
What is the SMILES notation for 6-[4-(cyclopropen-1-yl)-2-methylphenyl]-8-methyl-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;propan-2-imine?
The canonical SMILES for 6-[4-(cyclopropen-1-yl)-2-methylphenyl]-8-methyl-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;propan-2-imine is Cc1cc(C2=CC2)ccc1-c1cc2cnc(NC3COC3)nc2n(C)c1=O.[H]N=C(C)C.
What is the InChIKey of 6-[4-(cyclopropen-1-yl)-2-methylphenyl]-8-methyl-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;propan-2-imine?
The InChIKey is ODRBUESXSONZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2.C3H7N/c1-12-7-14(13-3-4-13)5-6-17(12)18-8-15-9-22-21(23-16-10-27-11-16)24-19(15)25(2)20(18)26;1-3(2)4/h3,5-9,16H,4,10-11H2,1-2H3,(H,22,23,24);4H,1-2H3.
What are the key properties of 6-[4-(cyclopropen-1-yl)-2-methylphenyl]-8-methyl-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;propan-2-imine?
6-[4-(cyclopropen-1-yl)-2-methylphenyl]-8-methyl-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;propan-2-imine has a molecular weight of 417.51 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclopropen-1-yl)-2-methylphenyl]-8-methyl-2-(oxetan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one;propan-2-imine is sourced from PubChem (CID 144780082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).