N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine

C14H17N5 — CID 80927045

IUPACN-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCc1nc(NN)cc(Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H17N5/c1-9-16-13(8-14(17-9)19-15)18-12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4,15H2,1H3,(H2,16,17,18,19)
InChIKeyJYOAJMLWHRCVBK-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.30
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine

N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine (PubChem CID 80927045) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine
PubChem CID80927045
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCc1nc(NN)cc(Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H17N5/c1-9-16-13(8-14(17-9)19-15)18-12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4,15H2,1H3,(H2,16,17,18,19)
InChIKeyJYOAJMLWHRCVBK-UHFFFAOYSA-N
XLogP2.30
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.30
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

6-hydrazinyl-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 80907284
4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine
CID 80763581
N-(4-chloro-3-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80897072
N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 104782098
6-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2,6-diamine
CID 80646724
6-hydrazinyl-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80919814
2-N-(2,3-dihydro-1H-inden-5-yl)-5-methylpyridine-2,4-diamine
CID 83265215
N-(3-fluoro-4-methoxyphenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80894943
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]benzonitrile
CID 80927950
6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine
CID 80944024
2-bromo-4-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]benzonitrile
CID 112736248
4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770049

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine (CID 80927045) is N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine is Cc1nc(NN)cc(Nc2ccc3c(c2)CCC3)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
The InChIKey is JYOAJMLWHRCVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-9-16-13(8-14(17-9)19-15)18-12-6-5-10-3-2-4-11(10)7-12/h5-8H,2-4,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine?
N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine has a molecular weight of 255.33 g/mol, XLogP of 2.30, 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)-6-hydrazinyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80927045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).