14-fluoro-6-piperazin-1-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-amine

C17H20FN5 — CID 25128824

IUPAC14-fluoro-6-piperazin-1-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-amine
SMILESNc1nc2c(c(N3CCNCC3)n1)CCCc1ccc(F)cc1-2
InChIInChI=1S/C17H20FN5/c18-12-5-4-11-2-1-3-13-15(14(11)10-12)21-17(19)22-16(13)23-8-6-20-7-9-23/h4-5,10,20H,1-3,6-9H2,(H2,19,21,22)
InChIKeyZKRHBPHZPPNOHI-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.76
Rot. Bonds1

About 14-fluoro-6-piperazin-1-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-amine

14-fluoro-6-piperazin-1-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-amine (PubChem CID 25128824) has the molecular formula C17H20FN5 and a molecular weight of 313.38 g/mol. Its IUPAC name is 14-fluoro-6-piperazin-1-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-amine.

Molecular Properties

Compound Name14-fluoro-6-piperazin-1-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-amine
PubChem CID25128824
Molecular FormulaC17H20FN5
Molecular Weight313.38 g/mol
Exact Mass313.17
IUPAC Name14-fluoro-6-piperazin-1-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-amine
SMILESNc1nc2c(c(N3CCNCC3)n1)CCCc1ccc(F)cc1-2
InChIInChI=1S/C17H20FN5/c18-12-5-4-11-2-1-3-13-15(14(11)10-12)21-17(19)22-16(13)23-8-6-20-7-9-23/h4-5,10,20H,1-3,6-9H2,(H2,19,21,22)
InChIKeyZKRHBPHZPPNOHI-UHFFFAOYSA-N
XLogP1.76
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 14-fluoro-6-piperazin-1-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-amine with MolForge

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Related Compounds

Revaprazan
CID 204104
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917
Revaprazan Hydrochloride
CID 204103
N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 697226
N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
5-(Aminomethyl)-6-(4-methylphenyl)-2-phenylpyrimidin-4-amine
CID 10171676
5H-Benzo(6,7)cyclohepta(1,2-d)pyrimidin-2-amine, 4-((3R)-3-amino-1-pyrrolidinyl)-6,7-dihydro-
CID 25068753
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
CID 25071004
A-940894
CID 25071319
6-(Piperazin-1-yl)-3,5-diazatricyclo[8.4.0.0^{2,7}]tetradeca-1(14),2,4,6,10,12-hexaen-4-amine
CID 25071940

Frequently Asked Questions

What is the IUPAC name of 14-fluoro-6-piperazin-1-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-amine?
The IUPAC name of 14-fluoro-6-piperazin-1-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-amine (CID 25128824) is 14-fluoro-6-piperazin-1-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-amine.
What is the SMILES notation for 14-fluoro-6-piperazin-1-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-amine?
The canonical SMILES for 14-fluoro-6-piperazin-1-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-amine is Nc1nc2c(c(N3CCNCC3)n1)CCCc1ccc(F)cc1-2.
What is the InChIKey of 14-fluoro-6-piperazin-1-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-amine?
The InChIKey is ZKRHBPHZPPNOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5/c18-12-5-4-11-2-1-3-13-15(14(11)10-12)21-17(19)22-16(13)23-8-6-20-7-9-23/h4-5,10,20H,1-3,6-9H2,(H2,19,21,22).
What are the key properties of 14-fluoro-6-piperazin-1-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-amine?
14-fluoro-6-piperazin-1-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-amine has a molecular weight of 313.38 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluoro-6-piperazin-1-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-amine is sourced from PubChem (CID 25128824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).