7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine

C21H20N8O — CID 155631479

IUPAC7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncc2ccc(-c3ccc4c(N)nc(N5CCOC6(CC6)C5)nc4n3)cc2n1
InChIInChI=1S/C21H20N8O/c22-17-14-3-4-15(12-1-2-13-10-24-19(23)26-16(13)9-12)25-18(14)28-20(27-17)29-7-8-30-21(11-29)5-6-21/h1-4,9-10H,5-8,11H2,(H2,23,24,26)(H2,22,25,27,28)
InChIKeyJZACVPYPUCNTAP-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.17
Rot. Bonds2

About 7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine

7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 155631479) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is 7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID155631479
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncc2ccc(-c3ccc4c(N)nc(N5CCOC6(CC6)C5)nc4n3)cc2n1
InChIInChI=1S/C21H20N8O/c22-17-14-3-4-15(12-1-2-13-10-24-19(23)26-16(13)9-12)25-18(14)28-20(27-17)29-7-8-30-21(11-29)5-6-21/h1-4,9-10H,5-8,11H2,(H2,23,24,26)(H2,22,25,27,28)
InChIKeyJZACVPYPUCNTAP-UHFFFAOYSA-N
XLogP2.17
TPSA128.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-oxa-7-azaspiro[2.5]octan-7-yl)-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 155631501
3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-cyclopropylbenzamide
CID 155631510
3-[4-amino-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-hydroxybenzamide;1-ethoxypropane
CID 157466769
3-[4-amino-2-(2-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155631497
3-[4-amino-2-(6-oxa-9-azaspiro[3.6]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 155631453
3-[4-amino-2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155631478
7-[6-morpholin-4-yl-3-(oxan-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine
CID 67458073
methyl 3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzoate
CID 155239068
N'-methanimidoyl-3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzenecarboximidamide
CID 155131220
2-(8-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl)quinazolin-4-amine
CID 162496353
4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 178105507
3-[2-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide
CID 155239057

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine (CID 155631479) is 7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine is Nc1ncc2ccc(-c3ccc4c(N)nc(N5CCOC6(CC6)C5)nc4n3)cc2n1.
What is the InChIKey of 7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is JZACVPYPUCNTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c22-17-14-3-4-15(12-1-2-13-10-24-19(23)26-16(13)9-12)25-18(14)28-20(27-17)29-7-8-30-21(11-29)5-6-21/h1-4,9-10H,5-8,11H2,(H2,23,24,26)(H2,22,25,27,28).
What are the key properties of 7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine?
7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 400.45 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155631479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).