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

C8H8F2N2 — CID 177336000

IUPAC5,5-difluoro-2-methyl-6,7-dihydrocyclopenta[d]pyrimidine
SMILESCc1ncc2c(n1)CCC2(F)F
InChIInChI=1S/C8H8F2N2/c1-5-11-4-6-7(12-5)2-3-8(6,9)10/h4H,2-3H2,1H3
InChIKeyUOXVMYHLUPDADA-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.82
Rot. Bonds

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

5,5-difluoro-2-methyl-6,7-dihydrocyclopenta[d]pyrimidine (PubChem CID 177336000) has the molecular formula C8H8F2N2 and a molecular weight of 170.16 g/mol. Its IUPAC name is 5,5-difluoro-2-methyl-6,7-dihydrocyclopenta[d]pyrimidine.

Molecular Properties

Compound Name5,5-difluoro-2-methyl-6,7-dihydrocyclopenta[d]pyrimidine
PubChem CID177336000
Molecular FormulaC8H8F2N2
Molecular Weight170.16 g/mol
Exact Mass170.07
IUPAC Name5,5-difluoro-2-methyl-6,7-dihydrocyclopenta[d]pyrimidine
SMILESCc1ncc2c(n1)CCC2(F)F
InChIInChI=1S/C8H8F2N2/c1-5-11-4-6-7(12-5)2-3-8(6,9)10/h4H,2-3H2,1H3
InChIKeyUOXVMYHLUPDADA-UHFFFAOYSA-N
XLogP1.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,5-trimethyl-6,8-dihydroquinazolin-7-one
CID 83915460
2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 172908778
ethane;methane;2-methyl-8,9-dihydro-7H-cyclohepta[d]pyrimidine
CID 143644650
2-methyl-7,8-dihydro-5H-quinazolin-6-one
CID 55254528
2,6-dimethyl-7H-cyclopenta[d]pyrimidine
CID 58449453
2,7-dimethyl-7,8-dihydroquinazoline
CID 144508558
2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-amine
CID 123594132
(1S,3R,4R)-3-[(2-methyl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]bicyclo[2.1.0]pentane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167770433
5-imino-2-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine 5-oxide
CID 163551632
4-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-5-methoxy-2-methylpyrimidine
CID 167593442
2-methyl-5-(1-methylcyclohexyl)pyrimidine
CID 145419022
4-[2-(1-aminocyclopropyl)ethyl]-2-methylpyrimidin-5-amine
CID 105446493

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-methyl-6,7-dihydrocyclopenta[d]pyrimidine?
The IUPAC name of 5,5-difluoro-2-methyl-6,7-dihydrocyclopenta[d]pyrimidine (CID 177336000) is 5,5-difluoro-2-methyl-6,7-dihydrocyclopenta[d]pyrimidine.
What is the SMILES notation for 5,5-difluoro-2-methyl-6,7-dihydrocyclopenta[d]pyrimidine?
The canonical SMILES for 5,5-difluoro-2-methyl-6,7-dihydrocyclopenta[d]pyrimidine is Cc1ncc2c(n1)CCC2(F)F.
What is the InChIKey of 5,5-difluoro-2-methyl-6,7-dihydrocyclopenta[d]pyrimidine?
The InChIKey is UOXVMYHLUPDADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2/c1-5-11-4-6-7(12-5)2-3-8(6,9)10/h4H,2-3H2,1H3.
What are the key properties of 5,5-difluoro-2-methyl-6,7-dihydrocyclopenta[d]pyrimidine?
5,5-difluoro-2-methyl-6,7-dihydrocyclopenta[d]pyrimidine has a molecular weight of 170.16 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-methyl-6,7-dihydrocyclopenta[d]pyrimidine is sourced from PubChem (CID 177336000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).