6-(difluoromethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1,3-diazinan-4-one

C14H20F2N6O2 — CID 178188709

IUPAC6-(difluoromethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1,3-diazinan-4-one
SMILESCOc1ccnc(N2CCN(C3NC(=O)CC(C(F)F)N3)CC2)n1
InChIInChI=1S/C14H20F2N6O2/c1-24-11-2-3-17-13(20-11)21-4-6-22(7-5-21)14-18-9(12(15)16)8-10(23)19-14/h2-3,9,12,14,18H,4-8H2,1H3,(H,19,23)
InChIKeySTYVCHCGLDRXQB-UHFFFAOYSA-N
MW342.35 g/mol
LogP-0.37
Rot. Bonds4

About 6-(difluoromethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1,3-diazinan-4-one

6-(difluoromethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1,3-diazinan-4-one (PubChem CID 178188709) has the molecular formula C14H20F2N6O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1,3-diazinan-4-one
PubChem CID178188709
Molecular FormulaC14H20F2N6O2
Molecular Weight342.35 g/mol
Exact Mass342.16
IUPAC Name6-(difluoromethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1,3-diazinan-4-one
SMILESCOc1ccnc(N2CCN(C3NC(=O)CC(C(F)F)N3)CC2)n1
InChIInChI=1S/C14H20F2N6O2/c1-24-11-2-3-17-13(20-11)21-4-6-22(7-5-21)14-18-9(12(15)16)8-10(23)19-14/h2-3,9,12,14,18H,4-8H2,1H3,(H,19,23)
InChIKeySTYVCHCGLDRXQB-UHFFFAOYSA-N
XLogP-0.37
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(difluoromethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1,3-diazinan-4-one with MolForge

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Related Compounds

US9624218, Example 13
CID 138374299
N-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 32114116
2-[4-[(4-Methoxypyrimidin-2-yl)amino]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 56821485
N-[2-[(4-methoxypyrimidin-2-yl)-methylamino]ethyl]acetamide
CID 136548989
3-((4-Methoxypyrimidin-2-yl)amino)piperidin-2-one
CID 47476528
2-[(4-Methoxypyrimidin-2-yl)amino]-3-methylbutanamide
CID 75432940
(2S)-N-ethyl-2-[(4-methoxypyrimidin-2-yl)amino]propanamide
CID 94447749
[(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95724778
(2S)-3-[(4-methoxypyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide
CID 164637724
N-butyl-N-[4-(trifluoromethoxy)pyrimidin-2-yl]butanamide
CID 71107097
1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 32173855
(2R)-1-(4-methoxypyrimidin-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 32878062

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1,3-diazinan-4-one?
The IUPAC name of 6-(difluoromethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1,3-diazinan-4-one (CID 178188709) is 6-(difluoromethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1,3-diazinan-4-one.
What is the SMILES notation for 6-(difluoromethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1,3-diazinan-4-one?
The canonical SMILES for 6-(difluoromethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1,3-diazinan-4-one is COc1ccnc(N2CCN(C3NC(=O)CC(C(F)F)N3)CC2)n1.
What is the InChIKey of 6-(difluoromethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1,3-diazinan-4-one?
The InChIKey is STYVCHCGLDRXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N6O2/c1-24-11-2-3-17-13(20-11)21-4-6-22(7-5-21)14-18-9(12(15)16)8-10(23)19-14/h2-3,9,12,14,18H,4-8H2,1H3,(H,19,23).
What are the key properties of 6-(difluoromethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1,3-diazinan-4-one?
6-(difluoromethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1,3-diazinan-4-one has a molecular weight of 342.35 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1,3-diazinan-4-one is sourced from PubChem (CID 178188709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).