2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine

C13H12FN7 — CID 80773000

IUPAC2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCc2ccccc2F)nc(-n2ccnc2)n1
InChIInChI=1S/C13H12FN7/c14-10-4-2-1-3-9(10)7-17-12-18-11(15)19-13(20-12)21-6-5-16-8-21/h1-6,8H,7H2,(H3,15,17,18,19,20)
InChIKeyOWTCTZMDCDAVFD-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.39
Rot. Bonds4

About 2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine

2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80773000) has the molecular formula C13H12FN7 and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80773000
Molecular FormulaC13H12FN7
Molecular Weight285.29 g/mol
Exact Mass285.11
IUPAC Name2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCc2ccccc2F)nc(-n2ccnc2)n1
InChIInChI=1S/C13H12FN7/c14-10-4-2-1-3-9(10)7-17-12-18-11(15)19-13(20-12)21-6-5-16-8-21/h1-6,8H,7H2,(H3,15,17,18,19,20)
InChIKeyOWTCTZMDCDAVFD-UHFFFAOYSA-N
XLogP1.39
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80774693
6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80776963
2-N-[(2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80772989
6-imidazol-1-yl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773392
2-N-(3,4-difluorophenyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80738135
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772756
2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770284
N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395
6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80791101
N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787090
4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80777252
6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80846392

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80773000) is 2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(NCc2ccccc2F)nc(-n2ccnc2)n1.
What is the InChIKey of 2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is OWTCTZMDCDAVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN7/c14-10-4-2-1-3-9(10)7-17-12-18-11(15)19-13(20-12)21-6-5-16-8-21/h1-6,8H,7H2,(H3,15,17,18,19,20).
What are the key properties of 2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 285.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80773000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).