2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C12H22N6O — CID 80772736

IUPAC2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCCOC)nc(N2CCCC2)n1
InChIInChI=1S/C12H22N6O/c1-13-10-15-11(14-6-5-9-19-2)17-12(16-10)18-7-3-4-8-18/h3-9H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyGQQPAHQBUHGQQE-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.96
Rot. Bonds7

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

2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80772736) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80772736
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCCCOC)nc(N2CCCC2)n1
InChIInChI=1S/C12H22N6O/c1-13-10-15-11(14-6-5-9-19-2)17-12(16-10)18-7-3-4-8-18/h3-9H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyGQQPAHQBUHGQQE-UHFFFAOYSA-N
XLogP0.96
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-methoxyethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80765916
4-N-ethyl-2-N-(4-methoxybutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80790722
2-N-(2-methoxyethyl)-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765285
5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241670
2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769896
4-N-methyl-6-piperidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80785798
4-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80840379
2-N-(cyclobutylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783502
2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 115366480
2-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80773807
4-N-methyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770344
2-methyl-1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80842795

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80772736) is 2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CNc1nc(NCCCOC)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is GQQPAHQBUHGQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-13-10-15-11(14-6-5-9-19-2)17-12(16-10)18-7-3-4-8-18/h3-9H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 266.35 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80772736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).