7,7-difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine

C9H10F2N2O2 — CID 156555746

IUPAC7,7-difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine
SMILESCOc1nc(OC)c2c(n1)C(F)(F)CC2
InChIInChI=1S/C9H10F2N2O2/c1-14-7-5-3-4-9(10,11)6(5)12-8(13-7)15-2/h3-4H2,1-2H3
InChIKeyQBEJFPWDFOFDTM-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.53
Rot. Bonds2

About 7,7-difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine

7,7-difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine (PubChem CID 156555746) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 7,7-difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine.

Molecular Properties

Compound Name7,7-difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine
PubChem CID156555746
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name7,7-difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine
SMILESCOc1nc(OC)c2c(n1)C(F)(F)CC2
InChIInChI=1S/C9H10F2N2O2/c1-14-7-5-3-4-9(10,11)6(5)12-8(13-7)15-2/h3-4H2,1-2H3
InChIKeyQBEJFPWDFOFDTM-UHFFFAOYSA-N
XLogP1.53
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol
CID 122536483
5-(2-Fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine
CID 46885008
4-Methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 58115651
2-Chloro-5-fluoro-4-methoxy-6-propylpyrimidine
CID 58252170
2-Chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine
CID 58252174
4-Cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine
CID 89037245
4-Cyclopropyl-5-fluoro-6-methoxy-2-propan-2-ylpyrimidine
CID 89935529
4-Cyclopropyl-5-fluoro-6-methoxy-2-methylpyrimidine
CID 89945906
4-cyclopropyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine
CID 121478453
4-Cyclopropyl-6-(difluoromethoxy)-5-methylpyrimidine
CID 148362947
4-Cyclopropyl-6-(difluoromethoxy)-5-ethylpyrimidine
CID 156289996
5-Tert-butyl-4-(2-fluoropropan-2-yl)-6-methoxypyrimidine
CID 156290195

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine?
The IUPAC name of 7,7-difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine (CID 156555746) is 7,7-difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine.
What is the SMILES notation for 7,7-difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine?
The canonical SMILES for 7,7-difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine is COc1nc(OC)c2c(n1)C(F)(F)CC2.
What is the InChIKey of 7,7-difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine?
The InChIKey is QBEJFPWDFOFDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-14-7-5-3-4-9(10,11)6(5)12-8(13-7)15-2/h3-4H2,1-2H3.
What are the key properties of 7,7-difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine?
7,7-difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine has a molecular weight of 216.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine is sourced from PubChem (CID 156555746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).