9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one

C23H25N5O — CID 10200238

IUPAC9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
SMILESCC1(C)CN(CC2Cc3ccccc3C2)c2nc(-c3ccncn3)cc(=O)n2C1
InChIInChI=1S/C23H25N5O/c1-23(2)13-27(12-16-9-17-5-3-4-6-18(17)10-16)22-26-20(11-21(29)28(22)14-23)19-7-8-24-15-25-19/h3-8,11,15-16H,9-10,12-14H2,1-2H3
InChIKeyTVQWNCBJUIHCMZ-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.96
Rot. Bonds3

About 9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one

9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 10200238) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID10200238
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
SMILESCC1(C)CN(CC2Cc3ccccc3C2)c2nc(-c3ccncn3)cc(=O)n2C1
InChIInChI=1S/C23H25N5O/c1-23(2)13-27(12-16-9-17-5-3-4-6-18(17)10-16)22-26-20(11-21(29)28(22)14-23)19-7-8-24-15-25-19/h3-8,11,15-16H,9-10,12-14H2,1-2H3
InChIKeyTVQWNCBJUIHCMZ-UHFFFAOYSA-N
XLogP2.96
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one 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 9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one (CID 10200238) is 9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one is CC1(C)CN(CC2Cc3ccccc3C2)c2nc(-c3ccncn3)cc(=O)n2C1.
What is the InChIKey of 9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is TVQWNCBJUIHCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-23(2)13-27(12-16-9-17-5-3-4-6-18(17)10-16)22-26-20(11-21(29)28(22)14-23)19-7-8-24-15-25-19/h3-8,11,15-16H,9-10,12-14H2,1-2H3.
What are the key properties of 9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?
9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 387.49 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dihydro-1H-inden-2-ylmethyl)-7,7-dimethyl-2-pyrimidin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10200238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).