8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one

C21H24N6O2 — CID 146651082

IUPAC8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one
SMILESCOc1c(Nc2ncnc3[nH]ccc23)cc(C)c2c1N(C)C1(CCCC1)NC2=O
InChIInChI=1S/C21H24N6O2/c1-12-10-14(25-19-13-6-9-22-18(13)23-11-24-19)17(29-3)16-15(12)20(28)26-21(27(16)2)7-4-5-8-21/h6,9-11H,4-5,7-8H2,1-3H3,(H,26,28)(H2,22,23,24,25)
InChIKeyQVENLBDSFYVAJK-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.47
Rot. Bonds3

About 8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one

8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one (PubChem CID 146651082) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one
PubChem CID146651082
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one
SMILESCOc1c(Nc2ncnc3[nH]ccc23)cc(C)c2c1N(C)C1(CCCC1)NC2=O
InChIInChI=1S/C21H24N6O2/c1-12-10-14(25-19-13-6-9-22-18(13)23-11-24-19)17(29-3)16-15(12)20(28)26-21(27(16)2)7-4-5-8-21/h6,9-11H,4-5,7-8H2,1-3H3,(H,26,28)(H2,22,23,24,25)
InChIKeyQVENLBDSFYVAJK-UHFFFAOYSA-N
XLogP3.47
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-4,8-dione
CID 146651036
9-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[2,4-dihydrocyclohepta[c]pyridine-3,1'-cyclopentane]-1,6-dione
CID 135258980
7-bromo-8-methoxy-1,5-dimethylspiro[3H-quinazoline-2,1'-cyclopentane]-4-one
CID 146650368
6-[(7-methoxyquinazolin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 135259180
N-[3-[5-methyl-4,8-dioxo-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclobutane]-1-yl]phenyl]prop-2-enamide
CID 146650647
6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;hydrochloride
CID 118598679
N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69190382
8-methyl-6-(quinazolin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
CID 142402610
8-methyl-6-[[6-(trifluoromethyl)quinazolin-4-yl]amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione
CID 142402558
ethyl 4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 142402596
1,5-dimethyl-7-[(2-oxo-3H-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]spiro[3H-pyrido[2,1-f][1,2,4]triazine-2,1'-cyclohexane]-4,8-dione
CID 146651074
6-[(6-amino-5-methoxypyrimidin-4-yl)amino]-1'-(isocyanomethyl)-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 123831332

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one?
The IUPAC name of 8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one (CID 146651082) is 8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one.
What is the SMILES notation for 8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one?
The canonical SMILES for 8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one is COc1c(Nc2ncnc3[nH]ccc23)cc(C)c2c1N(C)C1(CCCC1)NC2=O.
What is the InChIKey of 8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one?
The InChIKey is QVENLBDSFYVAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-12-10-14(25-19-13-6-9-22-18(13)23-11-24-19)17(29-3)16-15(12)20(28)26-21(27(16)2)7-4-5-8-21/h6,9-11H,4-5,7-8H2,1-3H3,(H,26,28)(H2,22,23,24,25).
What are the key properties of 8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one?
8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one has a molecular weight of 392.46 g/mol, XLogP of 3.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,5-dimethyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)spiro[3H-quinazoline-2,1'-cyclopentane]-4-one is sourced from PubChem (CID 146651082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).