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

C14H11ClF3N3 — CID 106766967

IUPAC6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H11ClF3N3/c15-11-7-12(21-13(20-11)14(16,17)18)19-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H,19,20,21)
InChIKeyAUIMJDZRSFBUBN-UHFFFAOYSA-N
MW313.71 g/mol
LogP4.38
Rot. Bonds2

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

6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106766967) has the molecular formula C14H11ClF3N3 and a molecular weight of 313.71 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106766967
Molecular FormulaC14H11ClF3N3
Molecular Weight313.71 g/mol
Exact Mass313.06
IUPAC Name6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H11ClF3N3/c15-11-7-12(21-13(20-11)14(16,17)18)19-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H,19,20,21)
InChIKeyAUIMJDZRSFBUBN-UHFFFAOYSA-N
XLogP4.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770049
6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 87998594
6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine
CID 80944024
N-(1,3-benzodioxol-5-yl)-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766946
1-N-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 106767240
6-chloro-N-(3,5-difluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767003
N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 2097688
4,6-dichloro-N-(2,3-dihydro-1H-inden-5-yl)-1,3,5-triazin-2-amine
CID 60725987
6-chloro-N-(5-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767179
N-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine
CID 61227803
4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine
CID 80763581
6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106194064

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106766967) is 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1nc(Cl)cc(Nc2ccc3c(c2)CCC3)n1.
What is the InChIKey of 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is AUIMJDZRSFBUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3/c15-11-7-12(21-13(20-11)14(16,17)18)19-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H,19,20,21).
What are the key properties of 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 313.71 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106766967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).