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

C12H17N7 — CID 80783009

IUPAC2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCC2CCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H17N7/c1-13-10-16-11(15-7-9-3-2-4-9)18-12(17-10)19-6-5-14-8-19/h5-6,8-9H,2-4,7H2,1H3,(H2,13,15,16,17,18)
InChIKeyCXYDUSPZAFEJLD-UHFFFAOYSA-N
MW259.32 g/mol
LogP1.31
Rot. Bonds5

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

2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80783009) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80783009
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCC2CCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H17N7/c1-13-10-16-11(15-7-9-3-2-4-9)18-12(17-10)19-6-5-14-8-19/h5-6,8-9H,2-4,7H2,1H3,(H2,13,15,16,17,18)
InChIKeyCXYDUSPZAFEJLD-UHFFFAOYSA-N
XLogP1.31
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80791148
4-chloro-6-imidazol-1-yl-N-[(4-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 63244419
4-(cyclopropylmethoxy)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80865599
6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771615
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
2-N-(cyclobutylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783502
6-imidazol-1-yl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107421293
6-imidazol-1-yl-2-N-[(3-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107415965
4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine
CID 80872070
4-hydrazinyl-6-imidazol-1-yl-N-[(2-methylcyclopropyl)methyl]-1,3,5-triazin-2-amine
CID 113464289
4-imidazol-1-yl-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80767496
3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol
CID 80855550

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80783009) is 2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(NCC2CCC2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CXYDUSPZAFEJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-13-10-16-11(15-7-9-3-2-4-9)18-12(17-10)19-6-5-14-8-19/h5-6,8-9H,2-4,7H2,1H3,(H2,13,15,16,17,18).
What are the key properties of 2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 259.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80783009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).