2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine

C12H23N7 — CID 80802963

IUPAC2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NC2CCN(C)C2)n1
InChIInChI=1S/C12H23N7/c1-4-19(5-2)12-16-10(13)15-11(17-12)14-9-6-7-18(3)8-9/h9H,4-8H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyTUIKLYSEHVBTQW-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.42
Rot. Bonds5

About 2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80802963) has the molecular formula C12H23N7 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80802963
Molecular FormulaC12H23N7
Molecular Weight265.36 g/mol
Exact Mass265.20
IUPAC Name2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NC2CCN(C)C2)n1
InChIInChI=1S/C12H23N7/c1-4-19(5-2)12-16-10(13)15-11(17-12)14-9-6-7-18(3)8-9/h9H,4-8H2,1-3H3,(H3,13,14,15,16,17)
InChIKeyTUIKLYSEHVBTQW-UHFFFAOYSA-N
XLogP0.42
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 80772562
2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80803159
2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 112746491
4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80841384
2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine
CID 80785173
4-N-(2,2-dimethyloxan-4-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 83036316
2-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4-diamine
CID 130532595
4-N-(2,3-dimethylcyclohexyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80772477
3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine
CID 66277099
4-N,4-N-diethyl-6-(4-propylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80797361
2-N-(cyclopropylmethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80839965
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine (CID 80802963) is 2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(NC2CCN(C)C2)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is TUIKLYSEHVBTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7/c1-4-19(5-2)12-16-10(13)15-11(17-12)14-9-6-7-18(3)8-9/h9H,4-8H2,1-3H3,(H3,13,14,15,16,17).
What are the key properties of 2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 265.36 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80802963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).