N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine

C13H14FN5 — CID 80926308

IUPACN-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(F)c(Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C13H14FN5/c14-11-7-16-13(19-15)18-12(11)17-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3,15H2,(H2,16,17,18,19)
InChIKeyIQDOYHSAAYHRRL-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.13
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine

N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine (PubChem CID 80926308) has the molecular formula C13H14FN5 and a molecular weight of 259.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
PubChem CID80926308
Molecular FormulaC13H14FN5
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESNNc1ncc(F)c(Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C13H14FN5/c14-11-7-16-13(19-15)18-12(11)17-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3,15H2,(H2,16,17,18,19)
InChIKeyIQDOYHSAAYHRRL-UHFFFAOYSA-N
XLogP2.13
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80762685
N-(3,4-dimethoxyphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80920092
N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927122
5-fluoro-4-N-methyl-2-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrimidine-2,4-diamine
CID 145095496
N-(3-ethylphenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927980
4-N-cyclopropyl-2-N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 156831501
2-N,4-N-bis(3-amino-4-methylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 22060880
5-fluoro-2-N,4-N-bis(4-fluorophenyl)pyrimidine-2,4-diamine
CID 954308
5-fluoro-2-N-(4-phenoxyphenyl)-4-N-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)pyrimidine-2,4-diamine
CID 123771556
2-N,4-N-bis(3-aminophenyl)-5-fluoropyrimidine-2,4-diamine;hydron
CID 69247498
N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 107531935
4-N-(3,4-difluorophenyl)-5-fluoro-2-N-(1-methyl-2,3-dihydroindazol-6-yl)pyrimidine-2,4-diamine
CID 67277033

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine (CID 80926308) is N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine is NNc1ncc(F)c(Nc2ccc3c(c2)CCC3)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The InChIKey is IQDOYHSAAYHRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5/c14-11-7-16-13(19-15)18-12(11)17-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3,15H2,(H2,16,17,18,19).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine has a molecular weight of 259.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80926308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).