6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[3-(2,2-dimethylpropoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine

C23H28N6O — CID 166539971

IUPAC6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[3-(2,2-dimethylpropoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCC(C)(C)COc1cccc(Nc2ncnc3ccc(N4CC5(CCN5)C4)nc23)c1
InChIInChI=1S/C23H28N6O/c1-22(2,3)14-30-17-6-4-5-16(11-17)27-21-20-18(24-15-25-21)7-8-19(28-20)29-12-23(13-29)9-10-26-23/h4-8,11,15,26H,9-10,12-14H2,1-3H3,(H,24,25,27)
InChIKeyNTZKBVSSLDYIHT-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.75
Rot. Bonds5

About 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[3-(2,2-dimethylpropoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine

6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[3-(2,2-dimethylpropoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 166539971) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[3-(2,2-dimethylpropoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[3-(2,2-dimethylpropoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID166539971
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[3-(2,2-dimethylpropoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCC(C)(C)COc1cccc(Nc2ncnc3ccc(N4CC5(CCN5)C4)nc23)c1
InChIInChI=1S/C23H28N6O/c1-22(2,3)14-30-17-6-4-5-16(11-17)27-21-20-18(24-15-25-21)7-8-19(28-20)29-12-23(13-29)9-10-26-23/h4-8,11,15,26H,9-10,12-14H2,1-3H3,(H,24,25,27)
InChIKeyNTZKBVSSLDYIHT-UHFFFAOYSA-N
XLogP3.75
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(5-phenoxy-2-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
CID 166540103
6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(2,3-difluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 166538759
6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-(3,4-dichloro-2-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 166538761
N-[3-chloro-4-(cyclopropylmethoxy)-2-fluorophenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 166539416
6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 166544037
N-[3-chloro-2-fluoro-4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-6-(1,6-diazaspiro[3.3]heptan-6-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 166539446
6-(4,7-diazaspiro[2.5]octan-7-yl)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 169133067
N-(4-phenoxyphenyl)-6-piperazin-1-ylpyrido[3,2-d]pyrimidin-4-amine
CID 166538822
tert-butyl 4-[4-[(5-chloro-6-phenoxy-3-pyridinyl)amino]pyrido[3,2-d]pyrimidin-6-yl]piperazine-1-carboxylate
CID 166538623
tert-butyl N-[1-[4-(3,4-dichloroanilino)pyrido[3,2-d]pyrimidin-6-yl]azetidin-3-yl]carbamate
CID 166539836
1-[6-[4-[(2-propan-2-yloxypyrimidin-5-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]-1,6-diazaspiro[3.3]heptan-1-yl]prop-2-en-1-one
CID 166540302
6-(4-methylpiperidin-1-yl)-N-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]triazin-4-amine
CID 127037886

Frequently Asked Questions

What is the IUPAC name of 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[3-(2,2-dimethylpropoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[3-(2,2-dimethylpropoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 166539971) is 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[3-(2,2-dimethylpropoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[3-(2,2-dimethylpropoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[3-(2,2-dimethylpropoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine is CC(C)(C)COc1cccc(Nc2ncnc3ccc(N4CC5(CCN5)C4)nc23)c1.
What is the InChIKey of 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[3-(2,2-dimethylpropoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is NTZKBVSSLDYIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-22(2,3)14-30-17-6-4-5-16(11-17)27-21-20-18(24-15-25-21)7-8-19(28-20)29-12-23(13-29)9-10-26-23/h4-8,11,15,26H,9-10,12-14H2,1-3H3,(H,24,25,27).
What are the key properties of 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[3-(2,2-dimethylpropoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[3-(2,2-dimethylpropoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 404.52 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,6-diazaspiro[3.3]heptan-6-yl)-N-[3-(2,2-dimethylpropoxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 166539971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).