(5R,7S)-7-fluoro-5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C12H17FN4 — CID 66845969

IUPAC(5R,7S)-7-fluoro-5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC[C@@H]1C[C@H](F)c2ncnc(N3CCNCC3)c21
InChIInChI=1S/C12H17FN4/c1-8-6-9(13)11-10(8)12(16-7-15-11)17-4-2-14-3-5-17/h7-9,14H,2-6H2,1H3/t8-,9+/m1/s1
InChIKeyXEZMICKLCRLQCS-BDAKNGLRSA-N
MW236.29 g/mol
LogP1.40
Rot. Bonds1

About (5R,7S)-7-fluoro-5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

(5R,7S)-7-fluoro-5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 66845969) has the molecular formula C12H17FN4 and a molecular weight of 236.29 g/mol. Its IUPAC name is (5R,7S)-7-fluoro-5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name(5R,7S)-7-fluoro-5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID66845969
Molecular FormulaC12H17FN4
Molecular Weight236.29 g/mol
Exact Mass236.14
IUPAC Name(5R,7S)-7-fluoro-5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC[C@@H]1C[C@H](F)c2ncnc(N3CCNCC3)c21
InChIInChI=1S/C12H17FN4/c1-8-6-9(13)11-10(8)12(16-7-15-11)17-4-2-14-3-5-17/h7-9,14H,2-6H2,1H3/t8-,9+/m1/s1
InChIKeyXEZMICKLCRLQCS-BDAKNGLRSA-N
XLogP1.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-7-fluoro-5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of (5R,7S)-7-fluoro-5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 66845969) is (5R,7S)-7-fluoro-5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for (5R,7S)-7-fluoro-5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for (5R,7S)-7-fluoro-5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is C[C@@H]1C[C@H](F)c2ncnc(N3CCNCC3)c21.
What is the InChIKey of (5R,7S)-7-fluoro-5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is XEZMICKLCRLQCS-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H17FN4/c1-8-6-9(13)11-10(8)12(16-7-15-11)17-4-2-14-3-5-17/h7-9,14H,2-6H2,1H3/t8-,9+/m1/s1.
What are the key properties of (5R,7S)-7-fluoro-5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
(5R,7S)-7-fluoro-5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 236.29 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-7-fluoro-5-methyl-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 66845969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).