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

C15H16ClN3O — CID 115975685

IUPACN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NC2c3ccccc3CC2Cl)n1
InChIInChI=1S/C15H16ClN3O/c1-2-20-13-7-8-17-15(18-13)19-14-11-6-4-3-5-10(11)9-12(14)16/h3-8,12,14H,2,9H2,1H3,(H,17,18,19)
InChIKeyQBPDESSVPGWYFF-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.19
Rot. Bonds4

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

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine (PubChem CID 115975685) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine
PubChem CID115975685
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NC2c3ccccc3CC2Cl)n1
InChIInChI=1S/C15H16ClN3O/c1-2-20-13-7-8-17-15(18-13)19-14-11-6-4-3-5-10(11)9-12(14)16/h3-8,12,14H,2,9H2,1H3,(H,17,18,19)
InChIKeyQBPDESSVPGWYFF-UHFFFAOYSA-N
XLogP3.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine
CID 65028581
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine
CID 112639257
N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine
CID 112638736
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626
4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine
CID 133309901
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine
CID 65028482
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-propoxypyrimidin-2-amine
CID 115974477
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine
CID 65028168
4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine
CID 112637934
N-[(3-chlorocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639324
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyrimidin-4-amine
CID 65028479

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine (CID 115975685) is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NC2c3ccccc3CC2Cl)n1.
What is the InChIKey of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine?
The InChIKey is QBPDESSVPGWYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-2-20-13-7-8-17-15(18-13)19-14-11-6-4-3-5-10(11)9-12(14)16/h3-8,12,14H,2,9H2,1H3,(H,17,18,19).
What are the key properties of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine?
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine has a molecular weight of 289.77 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 115975685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).