6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine

C14H23N7 — CID 80791101

IUPAC6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)CC(C)(C)Nc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C14H23N7/c1-13(2,3)8-14(4,5)20-11-17-10(15)18-12(19-11)21-7-6-16-9-21/h6-7,9H,8H2,1-5H3,(H3,15,17,18,19,20)
InChIKeyNVEXOWPNRQEHBP-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.27
Rot. Bonds4

About 6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine

6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80791101) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80791101
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)CC(C)(C)Nc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C14H23N7/c1-13(2,3)8-14(4,5)20-11-17-10(15)18-12(19-11)21-7-6-16-9-21/h6-7,9H,8H2,1-5H3,(H3,15,17,18,19,20)
InChIKeyNVEXOWPNRQEHBP-UHFFFAOYSA-N
XLogP2.27
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 104830624
2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770284
6-pyrrolidin-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80790973
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
6-imidazol-1-yl-2-N-[(2-methylphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80774693
2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80795295
6-imidazol-1-yl-2-N-(2,2,3,3-tetramethylcyclopropyl)-1,3,5-triazine-2,4-diamine
CID 80847905
6-imidazol-1-yl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773392
2-N-(1-cyclopropylpropan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80840055
6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813959
methyl 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80798771

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (CID 80791101) is 6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is CC(C)(C)CC(C)(C)Nc1nc(N)nc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NVEXOWPNRQEHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-13(2,3)8-14(4,5)20-11-17-10(15)18-12(19-11)21-7-6-16-9-21/h6-7,9H,8H2,1-5H3,(H3,15,17,18,19,20).
What are the key properties of 6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 289.39 g/mol, XLogP of 2.27, 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-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80791101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).