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

C13H24N6 — CID 80784659

IUPAC4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)CN(C)c1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C13H24N6/c1-4-10(2)9-18(3)12-15-11(14)16-13(17-12)19-7-5-6-8-19/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyMHZZOEITDTXFRO-UHFFFAOYSA-N
MW264.38 g/mol
LogP1.54
Rot. Bonds5

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

4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80784659) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80784659
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)CN(C)c1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C13H24N6/c1-4-10(2)9-18(3)12-15-11(14)16-13(17-12)19-7-5-6-8-19/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyMHZZOEITDTXFRO-UHFFFAOYSA-N
XLogP1.54
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783139
4-N-methyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80791014
4-N-methyl-6-pyrrolidin-1-yl-4-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80814113
4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 115988805
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide
CID 80778498
4-N-methyl-6-pyrrolidin-1-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80847737
4-N-methyl-4-N-(2-methylsulfanylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 112667710
4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80767241
2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80773484
2-N-(4-methylhexan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80829230
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]propanenitrile
CID 80754225
6-(4-butan-2-ylpiperazin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80825190

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80784659) is 4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCC(C)CN(C)c1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is MHZZOEITDTXFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-4-10(2)9-18(3)12-15-11(14)16-13(17-12)19-7-5-6-8-19/h10H,4-9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 264.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80784659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).