2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine

C15H21N6O+ — CID 7230327

IUPAC2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(C[NH+]2CCCC2)n1
InChIInChI=1S/C15H20N6O/c1-22-12-7-3-2-6-11(12)17-15-19-13(18-14(16)20-15)10-21-8-4-5-9-21/h2-3,6-7H,4-5,8-10H2,1H3,(H3,16,17,18,19,20)/p+1
InChIKeyXSCCGMUHUIJXCS-UHFFFAOYSA-O
MW301.37 g/mol
LogP0.38
Rot. Bonds5

About 2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine

2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 7230327) has the molecular formula C15H21N6O+ and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID7230327
Molecular FormulaC15H21N6O+
Molecular Weight301.37 g/mol
Exact Mass301.18
IUPAC Name2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(C[NH+]2CCCC2)n1
InChIInChI=1S/C15H20N6O/c1-22-12-7-3-2-6-11(12)17-15-19-13(18-14(16)20-15)10-21-8-4-5-9-21/h2-3,6-7H,4-5,8-10H2,1H3,(H3,16,17,18,19,20)/p+1
InChIKeyXSCCGMUHUIJXCS-UHFFFAOYSA-O
XLogP0.38
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2-methoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 6987528
2-N-(2,5-dimethoxyphenyl)-6-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 2716885
6-[[(4-ethylphenyl)methyl-methylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 26300445
6-[[(2-methoxy-5-methylphenyl)methyl-methylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 18094962
2-N-(2-methoxyphenyl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 644453
2-[4-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]phenol
CID 46630872
[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl oxolane-2-carboxylate
CID 42921235
6-[(4-benzylpiperidin-1-yl)methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1382129
[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 46641448
[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 2-(4-methoxyphenoxy)propanoate
CID 46509712
6-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 24512371
2-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 26434861

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 7230327) is 2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine is COc1ccccc1Nc1nc(N)nc(C[NH+]2CCCC2)n1.
What is the InChIKey of 2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XSCCGMUHUIJXCS-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N6O/c1-22-12-7-3-2-6-11(12)17-15-19-13(18-14(16)20-15)10-21-8-4-5-9-21/h2-3,6-7H,4-5,8-10H2,1H3,(H3,16,17,18,19,20)/p+1.
What are the key properties of 2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine?
2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 301.37 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyphenyl)-6-(pyrrolidin-1-ium-1-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 7230327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).