4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C12H17N7 — CID 79738256

IUPAC4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCn1ccnc1Cc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C12H17N7/c1-18-7-4-14-10(18)8-9-15-11(13)17-12(16-9)19-5-2-3-6-19/h4,7H,2-3,5-6,8H2,1H3,(H2,13,15,16,17)
InChIKeyOFYZYJFLXOPTOA-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.38
Rot. Bonds3

About 4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 79738256) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID79738256
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCn1ccnc1Cc1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C12H17N7/c1-18-7-4-14-10(18)8-9-15-11(13)17-12(16-9)19-5-2-3-6-19/h4,7H,2-3,5-6,8H2,1H3,(H2,13,15,16,17)
InChIKeyOFYZYJFLXOPTOA-UHFFFAOYSA-N
XLogP0.38
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(1-propylimidazol-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 79734742
2-chloro-4-imidazol-1-yl-6-[(1-methylimidazol-2-yl)methyl]-1,3,5-triazine
CID 79738250
2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
4-N-methyl-6-pyrrolidin-1-yl-4-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80814113
4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80765065
4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 143533585
2-cyclopropyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80952718
4-(3-ethylpiperidin-1-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80775661
1-(1-methylimidazol-2-yl)piperidine;dihydrochloride
CID 141222572
4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
CID 56873336
N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine
CID 79761018
2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106424603

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 79738256) is 4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is Cn1ccnc1Cc1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is OFYZYJFLXOPTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-18-7-4-14-10(18)8-9-15-11(13)17-12(16-9)19-5-2-3-6-19/h4,7H,2-3,5-6,8H2,1H3,(H2,13,15,16,17).
What are the key properties of 4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 259.32 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 79738256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).