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

C24H27N5O2 — CID 144780010

IUPAC8-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
SMILESC/C=C(\N=C(C)C)c1ccc(-c2cc3cnc(NC4COC4)nc3n(C)c2=O)c(C)c1
InChIInChI=1S/C24H27N5O2/c1-6-21(26-14(2)3)16-7-8-19(15(4)9-16)20-10-17-11-25-24(27-18-12-31-13-18)28-22(17)29(5)23(20)30/h6-11,18H,12-13H2,1-5H3,(H,25,27,28)/b21-6-
InChIKeyRVSRCXADWPSJKV-MPUCSWFWSA-N
MW417.51 g/mol
LogP3.96
Rot. Bonds5

About 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

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 (PubChem CID 144780010) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID144780010
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name8-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
SMILESC/C=C(\N=C(C)C)c1ccc(-c2cc3cnc(NC4COC4)nc3n(C)c2=O)c(C)c1
InChIInChI=1S/C24H27N5O2/c1-6-21(26-14(2)3)16-7-8-19(15(4)9-16)20-10-17-11-25-24(27-18-12-31-13-18)28-22(17)29(5)23(20)30/h6-11,18H,12-13H2,1-5H3,(H,25,27,28)/b21-6-
InChIKeyRVSRCXADWPSJKV-MPUCSWFWSA-N
XLogP3.96
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
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
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
2-[(1-acetylpiperidin-4-yl)amino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 23551756
8-methyl-6-(2-methylphenyl)-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 159644051
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
[4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride
CID 162319048
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
6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 118885963
tert-butyl N-[4-[[6-(3,5-dimethoxy-2,6-dimethylphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]carbamate
CID 123927948
N-[(3R)-4-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide
CID 144709027

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C(\N=C(C)C)c1ccc(-c2cc3cnc(NC4COC4)nc3n(C)c2=O)c(C)c1.
What is the InChIKey of 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?
The InChIKey is RVSRCXADWPSJKV-MPUCSWFWSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-6-21(26-14(2)3)16-7-8-19(15(4)9-16)20-10-17-11-25-24(27-18-12-31-13-18)28-22(17)29(5)23(20)30/h6-11,18H,12-13H2,1-5H3,(H,25,27,28)/b21-6-.
What are the key properties of 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?
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 has a molecular weight of 417.51 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144780010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).