7,7-difluoro-5-methyl-4-piperazin-1-yl-5,6-dihydrocyclopenta[d]pyrimidine

C12H16F2N4 — CID 66846213

IUPAC7,7-difluoro-5-methyl-4-piperazin-1-yl-5,6-dihydrocyclopenta[d]pyrimidine
SMILESCC1CC(F)(F)c2ncnc(N3CCNCC3)c21
InChIInChI=1S/C12H16F2N4/c1-8-6-12(13,14)10-9(8)11(17-7-16-10)18-4-2-15-3-5-18/h7-8,15H,2-6H2,1H3
InChIKeyWLNLIVQNVWJVKS-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.49
Rot. Bonds1

About 7,7-difluoro-5-methyl-4-piperazin-1-yl-5,6-dihydrocyclopenta[d]pyrimidine

7,7-difluoro-5-methyl-4-piperazin-1-yl-5,6-dihydrocyclopenta[d]pyrimidine (PubChem CID 66846213) has the molecular formula C12H16F2N4 and a molecular weight of 254.28 g/mol. Its IUPAC name is 7,7-difluoro-5-methyl-4-piperazin-1-yl-5,6-dihydrocyclopenta[d]pyrimidine.

Molecular Properties

Compound Name7,7-difluoro-5-methyl-4-piperazin-1-yl-5,6-dihydrocyclopenta[d]pyrimidine
PubChem CID66846213
Molecular FormulaC12H16F2N4
Molecular Weight254.28 g/mol
Exact Mass254.13
IUPAC Name7,7-difluoro-5-methyl-4-piperazin-1-yl-5,6-dihydrocyclopenta[d]pyrimidine
SMILESCC1CC(F)(F)c2ncnc(N3CCNCC3)c21
InChIInChI=1S/C12H16F2N4/c1-8-6-12(13,14)10-9(8)11(17-7-16-10)18-4-2-15-3-5-18/h7-8,15H,2-6H2,1H3
InChIKeyWLNLIVQNVWJVKS-UHFFFAOYSA-N
XLogP1.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-5-methyl-4-piperazin-1-yl-5,6-dihydrocyclopenta[d]pyrimidine?
The IUPAC name of 7,7-difluoro-5-methyl-4-piperazin-1-yl-5,6-dihydrocyclopenta[d]pyrimidine (CID 66846213) is 7,7-difluoro-5-methyl-4-piperazin-1-yl-5,6-dihydrocyclopenta[d]pyrimidine.
What is the SMILES notation for 7,7-difluoro-5-methyl-4-piperazin-1-yl-5,6-dihydrocyclopenta[d]pyrimidine?
The canonical SMILES for 7,7-difluoro-5-methyl-4-piperazin-1-yl-5,6-dihydrocyclopenta[d]pyrimidine is CC1CC(F)(F)c2ncnc(N3CCNCC3)c21.
What is the InChIKey of 7,7-difluoro-5-methyl-4-piperazin-1-yl-5,6-dihydrocyclopenta[d]pyrimidine?
The InChIKey is WLNLIVQNVWJVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4/c1-8-6-12(13,14)10-9(8)11(17-7-16-10)18-4-2-15-3-5-18/h7-8,15H,2-6H2,1H3.
What are the key properties of 7,7-difluoro-5-methyl-4-piperazin-1-yl-5,6-dihydrocyclopenta[d]pyrimidine?
7,7-difluoro-5-methyl-4-piperazin-1-yl-5,6-dihydrocyclopenta[d]pyrimidine has a molecular weight of 254.28 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-5-methyl-4-piperazin-1-yl-5,6-dihydrocyclopenta[d]pyrimidine is sourced from PubChem (CID 66846213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).