4-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

C16H12F2N6O2 — CID 59548391

IUPAC4-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(-c2cccnc2Nc2ccc3c(c2)OC(F)(F)O3)n1
InChIInChI=1S/C16H12F2N6O2/c1-8-21-14(24-15(19)22-8)10-3-2-6-20-13(10)23-9-4-5-11-12(7-9)26-16(17,18)25-11/h2-7H,1H3,(H,20,23)(H2,19,21,22,24)
InChIKeyBXTCWSVCCAUVFO-UHFFFAOYSA-N
MW358.31 g/mol
LogP2.89
Rot. Bonds3

About 4-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

4-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548391) has the molecular formula C16H12F2N6O2 and a molecular weight of 358.31 g/mol. Its IUPAC name is 4-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548391
Molecular FormulaC16H12F2N6O2
Molecular Weight358.31 g/mol
Exact Mass358.10
IUPAC Name4-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(-c2cccnc2Nc2ccc3c(c2)OC(F)(F)O3)n1
InChIInChI=1S/C16H12F2N6O2/c1-8-21-14(24-15(19)22-8)10-3-2-6-20-13(10)23-9-4-5-11-12(7-9)26-16(17,18)25-11/h2-7H,1H3,(H,20,23)(H2,19,21,22,24)
InChIKeyBXTCWSVCCAUVFO-UHFFFAOYSA-N
XLogP2.89
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548391) is 4-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is Cc1nc(N)nc(-c2cccnc2Nc2ccc3c(c2)OC(F)(F)O3)n1.
What is the InChIKey of 4-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is BXTCWSVCCAUVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N6O2/c1-8-21-14(24-15(19)22-8)10-3-2-6-20-13(10)23-9-4-5-11-12(7-9)26-16(17,18)25-11/h2-7H,1H3,(H,20,23)(H2,19,21,22,24).
What are the key properties of 4-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 358.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).