(5R,7R)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C14H19FN4 — CID 166173460

IUPAC(5R,7R)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC[C@@H]1C[C@@H](F)c2ncnc(N3C[C@H]4CC[C@@H](C3)N4)c21
InChIInChI=1S/C14H19FN4/c1-8-4-11(15)13-12(8)14(17-7-16-13)19-5-9-2-3-10(6-19)18-9/h7-11,18H,2-6H2,1H3/t8-,9-,10+,11-/m1/s1
InChIKeyPWLVXTAIAWUSJY-CHWFTXMASA-N
MW262.33 g/mol
LogP1.93
Rot. Bonds1

About (5R,7R)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

(5R,7R)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 166173460) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is (5R,7R)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name(5R,7R)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID166173460
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name(5R,7R)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC[C@@H]1C[C@@H](F)c2ncnc(N3C[C@H]4CC[C@@H](C3)N4)c21
InChIInChI=1S/C14H19FN4/c1-8-4-11(15)13-12(8)14(17-7-16-13)19-5-9-2-3-10(6-19)18-9/h7-11,18H,2-6H2,1H3/t8-,9-,10+,11-/m1/s1
InChIKeyPWLVXTAIAWUSJY-CHWFTXMASA-N
XLogP1.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R,7R)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,7R)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of (5R,7R)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 166173460) is (5R,7R)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for (5R,7R)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for (5R,7R)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is C[C@@H]1C[C@@H](F)c2ncnc(N3C[C@H]4CC[C@@H](C3)N4)c21.
What is the InChIKey of (5R,7R)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is PWLVXTAIAWUSJY-CHWFTXMASA-N. The full InChI is InChI=1S/C14H19FN4/c1-8-4-11(15)13-12(8)14(17-7-16-13)19-5-9-2-3-10(6-19)18-9/h7-11,18H,2-6H2,1H3/t8-,9-,10+,11-/m1/s1.
What are the key properties of (5R,7R)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
(5R,7R)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 262.33 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 166173460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).