8-chloro-2,2-dimethyl-1-(2-propan-2-yloxyethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one

C14H22ClN3O2 — CID 67982936

IUPAC8-chloro-2,2-dimethyl-1-(2-propan-2-yloxyethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
SMILESCC(C)OCCN1c2nc(Cl)cc(=O)n2CCC1(C)C
InChIInChI=1S/C14H22ClN3O2/c1-10(2)20-8-7-18-13-16-11(15)9-12(19)17(13)6-5-14(18,3)4/h9-10H,5-8H2,1-4H3
InChIKeyDYYBEKHKQNTVSU-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.31
Rot. Bonds4

About 8-chloro-2,2-dimethyl-1-(2-propan-2-yloxyethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one

8-chloro-2,2-dimethyl-1-(2-propan-2-yloxyethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one (PubChem CID 67982936) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 8-chloro-2,2-dimethyl-1-(2-propan-2-yloxyethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name8-chloro-2,2-dimethyl-1-(2-propan-2-yloxyethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
PubChem CID67982936
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name8-chloro-2,2-dimethyl-1-(2-propan-2-yloxyethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
SMILESCC(C)OCCN1c2nc(Cl)cc(=O)n2CCC1(C)C
InChIInChI=1S/C14H22ClN3O2/c1-10(2)20-8-7-18-13-16-11(15)9-12(19)17(13)6-5-14(18,3)4/h9-10H,5-8H2,1-4H3
InChIKeyDYYBEKHKQNTVSU-UHFFFAOYSA-N
XLogP2.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-chloro-2,2-dimethyl-1-(2-propan-2-yloxyethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-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 8-chloro-2,2-dimethyl-1-(2-propan-2-yloxyethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
The IUPAC name of 8-chloro-2,2-dimethyl-1-(2-propan-2-yloxyethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one (CID 67982936) is 8-chloro-2,2-dimethyl-1-(2-propan-2-yloxyethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 8-chloro-2,2-dimethyl-1-(2-propan-2-yloxyethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
The canonical SMILES for 8-chloro-2,2-dimethyl-1-(2-propan-2-yloxyethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one is CC(C)OCCN1c2nc(Cl)cc(=O)n2CCC1(C)C.
What is the InChIKey of 8-chloro-2,2-dimethyl-1-(2-propan-2-yloxyethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
The InChIKey is DYYBEKHKQNTVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-10(2)20-8-7-18-13-16-11(15)9-12(19)17(13)6-5-14(18,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 8-chloro-2,2-dimethyl-1-(2-propan-2-yloxyethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
8-chloro-2,2-dimethyl-1-(2-propan-2-yloxyethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one has a molecular weight of 299.80 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,2-dimethyl-1-(2-propan-2-yloxyethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 67982936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).