7-(2-amino-4-methoxypyrimidin-5-yl)-5-(cyclobutylmethyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one

C24H32N6O2 — CID 155223446

IUPAC7-(2-amino-4-methoxypyrimidin-5-yl)-5-(cyclobutylmethyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
SMILESCOc1nc(N)ncc1N1CC2(CC(c3ccccc3)(N(C)C)C2)N(CC2CCC2)C1=O
InChIInChI=1S/C24H32N6O2/c1-28(2)24(18-10-5-4-6-11-18)14-23(15-24)16-29(19-12-26-21(25)27-20(19)32-3)22(31)30(23)13-17-8-7-9-17/h4-6,10-12,17H,7-9,13-16H2,1-3H3,(H2,25,26,27)
InChIKeyJWJPBTDKDSWJQX-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.10
Rot. Bonds6

About 7-(2-amino-4-methoxypyrimidin-5-yl)-5-(cyclobutylmethyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one

7-(2-amino-4-methoxypyrimidin-5-yl)-5-(cyclobutylmethyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 155223446) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 7-(2-amino-4-methoxypyrimidin-5-yl)-5-(cyclobutylmethyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name7-(2-amino-4-methoxypyrimidin-5-yl)-5-(cyclobutylmethyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
PubChem CID155223446
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name7-(2-amino-4-methoxypyrimidin-5-yl)-5-(cyclobutylmethyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
SMILESCOc1nc(N)ncc1N1CC2(CC(c3ccccc3)(N(C)C)C2)N(CC2CCC2)C1=O
InChIInChI=1S/C24H32N6O2/c1-28(2)24(18-10-5-4-6-11-18)14-23(15-24)16-29(19-12-26-21(25)27-20(19)32-3)22(31)30(23)13-17-8-7-9-17/h4-6,10-12,17H,7-9,13-16H2,1-3H3,(H2,25,26,27)
InChIKeyJWJPBTDKDSWJQX-UHFFFAOYSA-N
XLogP3.10
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-4-methoxypyrimidin-5-yl)-5-(cyclobutylmethyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 7-(2-amino-4-methoxypyrimidin-5-yl)-5-(cyclobutylmethyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one (CID 155223446) is 7-(2-amino-4-methoxypyrimidin-5-yl)-5-(cyclobutylmethyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 7-(2-amino-4-methoxypyrimidin-5-yl)-5-(cyclobutylmethyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 7-(2-amino-4-methoxypyrimidin-5-yl)-5-(cyclobutylmethyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one is COc1nc(N)ncc1N1CC2(CC(c3ccccc3)(N(C)C)C2)N(CC2CCC2)C1=O.
What is the InChIKey of 7-(2-amino-4-methoxypyrimidin-5-yl)-5-(cyclobutylmethyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is JWJPBTDKDSWJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-28(2)24(18-10-5-4-6-11-18)14-23(15-24)16-29(19-12-26-21(25)27-20(19)32-3)22(31)30(23)13-17-8-7-9-17/h4-6,10-12,17H,7-9,13-16H2,1-3H3,(H2,25,26,27).
What are the key properties of 7-(2-amino-4-methoxypyrimidin-5-yl)-5-(cyclobutylmethyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
7-(2-amino-4-methoxypyrimidin-5-yl)-5-(cyclobutylmethyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 436.56 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-4-methoxypyrimidin-5-yl)-5-(cyclobutylmethyl)-2-(dimethylamino)-2-phenyl-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 155223446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).