4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C14H13F3N4 — CID 106770049

IUPAC4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccc3c(c2)CCC3)nc(C(F)(F)F)n1
InChIInChI=1S/C14H13F3N4/c15-14(16,17)13-20-11(18)7-12(21-13)19-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,18,19,20,21)
InChIKeyKPGGKEZXXUCBRO-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.31
Rot. Bonds2

About 4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106770049) has the molecular formula C14H13F3N4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106770049
Molecular FormulaC14H13F3N4
Molecular Weight294.28 g/mol
Exact Mass294.11
IUPAC Name4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(Nc2ccc3c(c2)CCC3)nc(C(F)(F)F)n1
InChIInChI=1S/C14H13F3N4/c15-14(16,17)13-20-11(18)7-12(21-13)19-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,18,19,20,21)
InChIKeyKPGGKEZXXUCBRO-UHFFFAOYSA-N
XLogP3.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766967
4-N-(2,3-dihydro-1H-inden-5-yl)pyrimidine-2,4,6-triamine
CID 80763581
4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770133
4-N-(4-chloro-3-fluorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771194
4-N-(4-methoxyphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769991
4-N-(3-bromo-4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771981
6-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2,6-diamine
CID 80646724
4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772407
N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 2097688
4-N-[3-(dimethylamino)phenyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772648
N-(2,3-dihydro-1H-inden-5-yl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80927045
N-(2,3-dihydro-1H-inden-5-yl)-6-fluoropyridin-2-amine
CID 61227803

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106770049) is 4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is Nc1cc(Nc2ccc3c(c2)CCC3)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is KPGGKEZXXUCBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4/c15-14(16,17)13-20-11(18)7-12(21-13)19-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,18,19,20,21).
What are the key properties of 4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 294.28 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dihydro-1H-inden-5-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106770049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).