2-N-(2,3-difluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C13H14F2N6 — CID 80775149

IUPAC2-N-(2,3-difluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2cccc(F)c2F)nc(N2CCCC2)n1
InChIInChI=1S/C13H14F2N6/c14-8-4-3-5-9(10(8)15)17-12-18-11(16)19-13(20-12)21-6-1-2-7-21/h3-5H,1-2,6-7H2,(H3,16,17,18,19,20)
InChIKeyCIHLELGYFKFYNY-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.08
Rot. Bonds3

About 2-N-(2,3-difluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-(2,3-difluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80775149) has the molecular formula C13H14F2N6 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-N-(2,3-difluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,3-difluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80775149
Molecular FormulaC13H14F2N6
Molecular Weight292.29 g/mol
Exact Mass292.12
IUPAC Name2-N-(2,3-difluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2cccc(F)c2F)nc(N2CCCC2)n1
InChIInChI=1S/C13H14F2N6/c14-8-4-3-5-9(10(8)15)17-12-18-11(16)19-13(20-12)21-6-1-2-7-21/h3-5H,1-2,6-7H2,(H3,16,17,18,19,20)
InChIKeyCIHLELGYFKFYNY-UHFFFAOYSA-N
XLogP2.08
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3-bromophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80736600
2-N-(3-fluoro-5-methylphenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80834570
2-N-(4-chlorophenyl)-4-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 18584715
(3S,5R)-1-[4-[(3S)-3-aminopiperidin-1-yl]-6-(2-fluoroanilino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 71171659
N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride
CID 18584608
4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine
CID 112910147
4-(azepan-1-yl)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine
CID 112926668
2-N-(2-iodophenyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80737478
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106424603
N-(4-chlorophenyl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80911509
4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine
CID 134091443

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-difluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,3-difluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80775149) is 2-N-(2,3-difluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,3-difluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,3-difluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2cccc(F)c2F)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-(2,3-difluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is CIHLELGYFKFYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N6/c14-8-4-3-5-9(10(8)15)17-12-18-11(16)19-13(20-12)21-6-1-2-7-21/h3-5H,1-2,6-7H2,(H3,16,17,18,19,20).
What are the key properties of 2-N-(2,3-difluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(2,3-difluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 292.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-difluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80775149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).