(8S)-2-chloro-3-fluoro-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C13H16ClF4N3O2 — CID 67982136

IUPAC(8S)-2-chloro-3-fluoro-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC(C)OCCN1c2nc(Cl)c(F)c(=O)n2CC[C@H]1C(F)(F)F
InChIInChI=1S/C13H16ClF4N3O2/c1-7(2)23-6-5-20-8(13(16,17)18)3-4-21-11(22)9(15)10(14)19-12(20)21/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyHGCRGYDNHNFTIF-QMMMGPOBSA-N
MW357.74 g/mol
LogP2.60
Rot. Bonds4

About (8S)-2-chloro-3-fluoro-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

(8S)-2-chloro-3-fluoro-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 67982136) has the molecular formula C13H16ClF4N3O2 and a molecular weight of 357.74 g/mol. Its IUPAC name is (8S)-2-chloro-3-fluoro-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(8S)-2-chloro-3-fluoro-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID67982136
Molecular FormulaC13H16ClF4N3O2
Molecular Weight357.74 g/mol
Exact Mass357.09
IUPAC Name(8S)-2-chloro-3-fluoro-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC(C)OCCN1c2nc(Cl)c(F)c(=O)n2CC[C@H]1C(F)(F)F
InChIInChI=1S/C13H16ClF4N3O2/c1-7(2)23-6-5-20-8(13(16,17)18)3-4-21-11(22)9(15)10(14)19-12(20)21/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyHGCRGYDNHNFTIF-QMMMGPOBSA-N
XLogP2.60
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.74
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8S)-2-chloro-3-fluoro-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[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 (8S)-2-chloro-3-fluoro-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of (8S)-2-chloro-3-fluoro-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 67982136) is (8S)-2-chloro-3-fluoro-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (8S)-2-chloro-3-fluoro-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for (8S)-2-chloro-3-fluoro-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC(C)OCCN1c2nc(Cl)c(F)c(=O)n2CC[C@H]1C(F)(F)F.
What is the InChIKey of (8S)-2-chloro-3-fluoro-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is HGCRGYDNHNFTIF-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16ClF4N3O2/c1-7(2)23-6-5-20-8(13(16,17)18)3-4-21-11(22)9(15)10(14)19-12(20)21/h7-8H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (8S)-2-chloro-3-fluoro-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
(8S)-2-chloro-3-fluoro-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 357.74 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-chloro-3-fluoro-9-(2-propan-2-yloxyethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 67982136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).