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

C12H18ClN3O2 — CID 67982473

IUPAC8-chloro-1-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
SMILESCOCCN1c2nc(Cl)cc(=O)n2CCC1(C)C
InChIInChI=1S/C12H18ClN3O2/c1-12(2)4-5-15-10(17)8-9(13)14-11(15)16(12)6-7-18-3/h8H,4-7H2,1-3H3
InChIKeyYWFXJYUGMYQUDS-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.53
Rot. Bonds3

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

8-chloro-1-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one (PubChem CID 67982473) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 8-chloro-1-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name8-chloro-1-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
PubChem CID67982473
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name8-chloro-1-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
SMILESCOCCN1c2nc(Cl)cc(=O)n2CCC1(C)C
InChIInChI=1S/C12H18ClN3O2/c1-12(2)4-5-15-10(17)8-9(13)14-11(15)16(12)6-7-18-3/h8H,4-7H2,1-3H3
InChIKeyYWFXJYUGMYQUDS-UHFFFAOYSA-N
XLogP1.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
The IUPAC name of 8-chloro-1-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one (CID 67982473) is 8-chloro-1-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 8-chloro-1-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
The canonical SMILES for 8-chloro-1-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one is COCCN1c2nc(Cl)cc(=O)n2CCC1(C)C.
What is the InChIKey of 8-chloro-1-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
The InChIKey is YWFXJYUGMYQUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-12(2)4-5-15-10(17)8-9(13)14-11(15)16(12)6-7-18-3/h8H,4-7H2,1-3H3.
What are the key properties of 8-chloro-1-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one?
8-chloro-1-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one has a molecular weight of 271.75 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(2-methoxyethyl)-2,2-dimethyl-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 67982473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).