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

C15H15ClFN3 — CID 11948553

IUPAC5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)pyrimidin-4-amine
SMILESCC(F)c1ncnc(NC2CCc3ccccc32)c1Cl
InChIInChI=1S/C15H15ClFN3/c1-9(17)14-13(16)15(19-8-18-14)20-12-7-6-10-4-2-3-5-11(10)12/h2-5,8-9,12H,6-7H2,1H3,(H,18,19,20)
InChIKeyRXTQZLMGLLNZMJ-UHFFFAOYSA-N
MW291.76 g/mol
LogP4.26
Rot. Bonds3

About 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)pyrimidin-4-amine

5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)pyrimidin-4-amine (PubChem CID 11948553) has the molecular formula C15H15ClFN3 and a molecular weight of 291.76 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)pyrimidin-4-amine
PubChem CID11948553
Molecular FormulaC15H15ClFN3
Molecular Weight291.76 g/mol
Exact Mass291.09
IUPAC Name5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)pyrimidin-4-amine
SMILESCC(F)c1ncnc(NC2CCc3ccccc32)c1Cl
InChIInChI=1S/C15H15ClFN3/c1-9(17)14-13(16)15(19-8-18-14)20-12-7-6-10-4-2-3-5-11(10)12/h2-5,8-9,12H,6-7H2,1H3,(H,18,19,20)
InChIKeyRXTQZLMGLLNZMJ-UHFFFAOYSA-N
XLogP4.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 165069432
5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 169260324
N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83077299
7-cyclopentyl-N-(2,3-dihydro-1H-inden-1-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 78021068
6-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-methylpyridin-3-amine
CID 114049295
6-chloro-4,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazin-3-amine
CID 63271648
3-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 62734178
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrido[3,2-d]pyrimidin-4-amine
CID 142477727
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 81377462
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 62316564
N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1H-inden-1-amine
CID 63453182
2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-diamine
CID 141199441

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)pyrimidin-4-amine (CID 11948553) is 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)pyrimidin-4-amine is CC(F)c1ncnc(NC2CCc3ccccc32)c1Cl.
What is the InChIKey of 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)pyrimidin-4-amine?
The InChIKey is RXTQZLMGLLNZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3/c1-9(17)14-13(16)15(19-8-18-14)20-12-7-6-10-4-2-3-5-11(10)12/h2-5,8-9,12H,6-7H2,1H3,(H,18,19,20).
What are the key properties of 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)pyrimidin-4-amine?
5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)pyrimidin-4-amine has a molecular weight of 291.76 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 11948553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).