4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

C12H18N8 — CID 80767496

IUPAC4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(N2CCN(C)CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H18N8/c1-13-10-15-11(19-7-5-18(2)6-8-19)17-12(16-10)20-4-3-14-9-20/h3-4,9H,5-8H2,1-2H3,(H,13,15,16,17)
InChIKeyQQWSRDHRESFXAX-UHFFFAOYSA-N
MW274.33 g/mol
LogP-0.15
Rot. Bonds3

About 4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80767496) has the molecular formula C12H18N8 and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID80767496
Molecular FormulaC12H18N8
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(N2CCN(C)CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H18N8/c1-13-10-15-11(19-7-5-18(2)6-8-19)17-12(16-10)20-4-3-14-9-20/h3-4,9H,5-8H2,1-2H3,(H,13,15,16,17)
InChIKeyQQWSRDHRESFXAX-UHFFFAOYSA-N
XLogP-0.15
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80807554
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 115563016
N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80767498
1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 115967439
4-(4-bromopyrazol-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80853368
4-imidazol-1-yl-N-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 80831744
2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80783009
6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771615
3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol
CID 80855550
4-methoxy-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80767737
2-N-(1,1-dioxothiolan-3-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80772132
4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80865599

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 80767496) is 4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CNc1nc(N2CCN(C)CC2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is QQWSRDHRESFXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8/c1-13-10-15-11(19-7-5-18(2)6-8-19)17-12(16-10)20-4-3-14-9-20/h3-4,9H,5-8H2,1-2H3,(H,13,15,16,17).
What are the key properties of 4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 274.33 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80767496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).