2-chloro-6-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

C8H10ClN3O — CID 137156550

IUPAC2-chloro-6-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESCC1CCNc2nc(Cl)cc(=O)n21
InChIInChI=1S/C8H10ClN3O/c1-5-2-3-10-8-11-6(9)4-7(13)12(5)8/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyBXIIHWPKGOSQIY-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.27
Rot. Bonds

About 2-chloro-6-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one

2-chloro-6-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 137156550) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-chloro-6-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-6-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
PubChem CID137156550
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name2-chloro-6-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
SMILESCC1CCNc2nc(Cl)cc(=O)n21
InChIInChI=1S/C8H10ClN3O/c1-5-2-3-10-8-11-6(9)4-7(13)12(5)8/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyBXIIHWPKGOSQIY-UHFFFAOYSA-N
XLogP1.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-chloro-6-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one (CID 137156550) is 2-chloro-6-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-6-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloro-6-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is CC1CCNc2nc(Cl)cc(=O)n21.
What is the InChIKey of 2-chloro-6-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is BXIIHWPKGOSQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-5-2-3-10-8-11-6(9)4-7(13)12(5)8/h4-5H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-chloro-6-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one?
2-chloro-6-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 199.64 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 137156550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).