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

C14H15N7 — CID 80774693

IUPAC6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1CNc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C14H15N7/c1-10-4-2-3-5-11(10)8-17-13-18-12(15)19-14(20-13)21-7-6-16-9-21/h2-7,9H,8H2,1H3,(H3,15,17,18,19,20)
InChIKeyZIXZZZJPHHMRIV-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.56
Rot. Bonds4

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

6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80774693) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID80774693
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1CNc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C14H15N7/c1-10-4-2-3-5-11(10)8-17-13-18-12(15)19-14(20-13)21-7-6-16-9-21/h2-7,9H,8H2,1H3,(H3,15,17,18,19,20)
InChIKeyZIXZZZJPHHMRIV-UHFFFAOYSA-N
XLogP1.56
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80773000
6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80776963
6-imidazol-1-yl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773392
2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770284
6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80791101
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772756
N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787090
N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline
CID 43678312
methyl 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80798771
6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813959
2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 104830624

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine (CID 80774693) is 6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine is Cc1ccccc1CNc1nc(N)nc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ZIXZZZJPHHMRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c1-10-4-2-3-5-11(10)8-17-13-18-12(15)19-14(20-13)21-7-6-16-9-21/h2-7,9H,8H2,1H3,(H3,15,17,18,19,20).
What are the key properties of 6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine?
6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 281.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80774693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).