(1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine

C14H13F3N4 — CID 138027256

IUPAC(1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine
SMILESN[C@@H]1c2ccccc2C[C@H]1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H13F3N4/c15-14(16,17)11-5-6-19-13(21-11)20-10-7-8-3-1-2-4-9(8)12(10)18/h1-6,10,12H,7,18H2,(H,19,20,21)/t10-,12-/m1/s1
InChIKeyIIGKYEBICHHARK-ZYHUDNBSSA-N
MW294.28 g/mol
LogP2.53
Rot. Bonds2

About (1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine

(1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine (PubChem CID 138027256) has the molecular formula C14H13F3N4 and a molecular weight of 294.28 g/mol. Its IUPAC name is (1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine.

Molecular Properties

Compound Name(1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine
PubChem CID138027256
Molecular FormulaC14H13F3N4
Molecular Weight294.28 g/mol
Exact Mass294.11
IUPAC Name(1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine
SMILESN[C@@H]1c2ccccc2C[C@H]1Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H13F3N4/c15-14(16,17)11-5-6-19-13(21-11)20-10-7-8-3-1-2-4-9(8)12(10)18/h1-6,10,12H,7,18H2,(H,19,20,21)/t10-,12-/m1/s1
InChIKeyIIGKYEBICHHARK-ZYHUDNBSSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine with MolForge

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Related Compounds

(1R,2R)-2-N-(4-methylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 138027257
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 46570687
N-(2,3-dimethylcyclopentyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 64923601
4-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 18460887
N-(2-chlorocyclohexyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 65029086
N-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 146079533
2,2-dimethyl-1-N-[4-(trifluoromethyl)pyrimidin-2-yl]cyclobutane-1,3-diamine
CID 114632622
N-(1-amino-2,3-dihydro-1H-inden-2-yl)hydroxylamine
CID 144626033
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]ethanol
CID 133496440
4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-2-one
CID 103952529
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133435434
7-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 66211121

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine?
The IUPAC name of (1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine (CID 138027256) is (1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine.
What is the SMILES notation for (1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine?
The canonical SMILES for (1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine is N[C@@H]1c2ccccc2C[C@H]1Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of (1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine?
The InChIKey is IIGKYEBICHHARK-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H13F3N4/c15-14(16,17)11-5-6-19-13(21-11)20-10-7-8-3-1-2-4-9(8)12(10)18/h1-6,10,12H,7,18H2,(H,19,20,21)/t10-,12-/m1/s1.
What are the key properties of (1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine?
(1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine has a molecular weight of 294.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3-dihydro-1H-indene-1,2-diamine is sourced from PubChem (CID 138027256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).