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

C27H35N5O6 — CID 123927948

IUPACtert-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
SMILESCOc1cc(OC)c(C)c(-c2cc3cnc(NC4COCC4NC(=O)OC(C)(C)C)nc3n(C)c2=O)c1C
InChIInChI=1S/C27H35N5O6/c1-14-20(35-7)10-21(36-8)15(2)22(14)17-9-16-11-28-25(31-23(16)32(6)24(17)33)29-18-12-37-13-19(18)30-26(34)38-27(3,4)5/h9-11,18-19H,12-13H2,1-8H3,(H,30,34)(H,28,29,31)
InChIKeyDRXXWMWNPMTNSR-UHFFFAOYSA-N
MW525.61 g/mol
LogP3.33
Rot. Bonds6

About 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

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 (PubChem CID 123927948) has the molecular formula C27H35N5O6 and a molecular weight of 525.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID123927948
Molecular FormulaC27H35N5O6
Molecular Weight525.61 g/mol
Exact Mass525.26
IUPAC Nametert-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
SMILESCOc1cc(OC)c(C)c(-c2cc3cnc(NC4COCC4NC(=O)OC(C)(C)C)nc3n(C)c2=O)c1C
InChIInChI=1S/C27H35N5O6/c1-14-20(35-7)10-21(36-8)15(2)22(14)17-9-16-11-28-25(31-23(16)32(6)24(17)33)29-18-12-37-13-19(18)30-26(34)38-27(3,4)5/h9-11,18-19H,12-13H2,1-8H3,(H,30,34)(H,28,29,31)
InChIKeyDRXXWMWNPMTNSR-UHFFFAOYSA-N
XLogP3.33
TPSA125.83 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.61
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]carbamate
CID 123991470
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
N-[(3R)-4-[[6-(2-chloro-6-fluoro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide
CID 163457307
tert-butyl N-[(3R,4S)-4-aminooxolan-3-yl]carbamate;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-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;prop-2-enoyl chloride
CID 159852324
tert-butyl N-[(3R,4S)-4-[[6-(3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-5-phenyloxolan-3-yl]carbamate
CID 129167745
6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-2-[(4-methyl-1,1-dioxothiolan-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 118885956
N-[4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]pyrrolidin-3-yl]prop-2-enamide
CID 90436889
tert-butyl N-[(4S)-4-[[5-[(Z)-2-(2,6-dichloro-3,5-dimethoxyphenyl)-2-fluoroethenyl]pyrimidin-2-yl]amino]oxolan-3-yl]carbamate
CID 139514557
[(1S,2R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]azanium chloride
CID 159365382
2-[[(3S,4R)-4-aminooxolan-3-yl]amino]-6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-[[(3S,4R)-4-methyloxolan-3-yl]amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;N-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide;prop-2-enoyl chloride
CID 157370097
N-[(1S,2R)-5-cycloheptyl-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]prop-2-enamide
CID 155110047
N-[(3R,4S)-4-[[6-(2-chloro-3,5-dimethoxy-6-methylphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide
CID 135179753

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(OC)c(C)c(-c2cc3cnc(NC4COCC4NC(=O)OC(C)(C)C)nc3n(C)c2=O)c1C.
What is the InChIKey of 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?
The InChIKey is DRXXWMWNPMTNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O6/c1-14-20(35-7)10-21(36-8)15(2)22(14)17-9-16-11-28-25(31-23(16)32(6)24(17)33)29-18-12-37-13-19(18)30-26(34)38-27(3,4)5/h9-11,18-19H,12-13H2,1-8H3,(H,30,34)(H,28,29,31).
What are the key properties of 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?
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 has a molecular weight of 525.61 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123927948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).