N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine

C15H16ClN3 — CID 65028168

IUPACN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NC2c3ccccc3CC2Cl)ncn1
InChIInChI=1S/C15H16ClN3/c1-2-11-8-14(18-9-17-11)19-15-12-6-4-3-5-10(12)7-13(15)16/h3-6,8-9,13,15H,2,7H2,1H3,(H,17,18,19)
InChIKeyJFIXUZGIQKRHDL-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.36
Rot. Bonds3

About N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine (PubChem CID 65028168) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine
PubChem CID65028168
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine
SMILESCCc1cc(NC2c3ccccc3CC2Cl)ncn1
InChIInChI=1S/C15H16ClN3/c1-2-11-8-14(18-9-17-11)19-15-12-6-4-3-5-10(12)7-13(15)16/h3-6,8-9,13,15H,2,7H2,1H3,(H,17,18,19)
InChIKeyJFIXUZGIQKRHDL-UHFFFAOYSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine
CID 61234216
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine
CID 65028482
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyrimidin-4-amine
CID 65028479
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine
CID 65028581
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine
CID 65028225
1-N-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 63759429
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine
CID 65277345
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine
CID 115975685
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 65028737
(2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 59083163
N-[(1R,2R)-2-chloro-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139750983
N-[(2-chlorocyclohexyl)methyl]-6-ethylpyrimidin-4-amine
CID 65029242

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine?
The IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine (CID 65028168) is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine is CCc1cc(NC2c3ccccc3CC2Cl)ncn1.
What is the InChIKey of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine?
The InChIKey is JFIXUZGIQKRHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-2-11-8-14(18-9-17-11)19-15-12-6-4-3-5-10(12)7-13(15)16/h3-6,8-9,13,15H,2,7H2,1H3,(H,17,18,19).
What are the key properties of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine?
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine has a molecular weight of 273.77 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 65028168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).