6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine

C13H21N7O — CID 80827415

IUPAC6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC(COC)C(C)C)nc(-n2ccnc2)n1
InChIInChI=1S/C13H21N7O/c1-9(2)10(7-21-4)16-12-17-11(14-3)18-13(19-12)20-6-5-15-8-20/h5-6,8-10H,7H2,1-4H3,(H2,14,16,17,18,19)
InChIKeyRTRPWYZATYIRLW-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.18
Rot. Bonds7

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

6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80827415) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80827415
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC(COC)C(C)C)nc(-n2ccnc2)n1
InChIInChI=1S/C13H21N7O/c1-9(2)10(7-21-4)16-12-17-11(14-3)18-13(19-12)20-6-5-15-8-20/h5-6,8-10H,7H2,1-4H3,(H2,14,16,17,18,19)
InChIKeyRTRPWYZATYIRLW-UHFFFAOYSA-N
XLogP1.18
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848735
2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80827536
2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80783009
3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxybutan-1-ol
CID 106163591
6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771615
6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80793623
4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989481
4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80887416
4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80789035
4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol
CID 106296305
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
CID 104556976

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80827415) is 6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(NC(COC)C(C)C)nc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RTRPWYZATYIRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-9(2)10(7-21-4)16-12-17-11(14-3)18-13(19-12)20-6-5-15-8-20/h5-6,8-10H,7H2,1-4H3,(H2,14,16,17,18,19).
What are the key properties of 6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 291.36 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80827415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).