6-azaspiro[2.5]octan-2-yl-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C19H30N6O — CID 56868589

IUPAC6-azaspiro[2.5]octan-2-yl-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)C1CC13CCNCC3)C2
InChIInChI=1S/C19H30N6O/c1-23(2)16-13-5-10-25(12-15(13)21-18(22-16)24(3)4)17(26)14-11-19(14)6-8-20-9-7-19/h14,20H,5-12H2,1-4H3
InChIKeyAGOKIFLHIFEMNI-UHFFFAOYSA-N
MW358.49 g/mol
LogP0.88
Rot. Bonds3

About 6-azaspiro[2.5]octan-2-yl-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

6-azaspiro[2.5]octan-2-yl-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 56868589) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 6-azaspiro[2.5]octan-2-yl-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Name6-azaspiro[2.5]octan-2-yl-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID56868589
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name6-azaspiro[2.5]octan-2-yl-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)C1CC13CCNCC3)C2
InChIInChI=1S/C19H30N6O/c1-23(2)16-13-5-10-25(12-15(13)21-18(22-16)24(3)4)17(26)14-11-19(14)6-8-20-9-7-19/h14,20H,5-12H2,1-4H3
InChIKeyAGOKIFLHIFEMNI-UHFFFAOYSA-N
XLogP0.88
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-azaspiro[2.5]octan-2-yl-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octan-2-yl-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of 6-azaspiro[2.5]octan-2-yl-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 56868589) is 6-azaspiro[2.5]octan-2-yl-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for 6-azaspiro[2.5]octan-2-yl-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for 6-azaspiro[2.5]octan-2-yl-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)C1CC13CCNCC3)C2.
What is the InChIKey of 6-azaspiro[2.5]octan-2-yl-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is AGOKIFLHIFEMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-23(2)16-13-5-10-25(12-15(13)21-18(22-16)24(3)4)17(26)14-11-19(14)6-8-20-9-7-19/h14,20H,5-12H2,1-4H3.
What are the key properties of 6-azaspiro[2.5]octan-2-yl-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
6-azaspiro[2.5]octan-2-yl-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 358.49 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[2.5]octan-2-yl-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 56868589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).