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

C15H28N6 — CID 80835377

IUPAC4-N-ethyl-2-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)CN(CC)c1nc(NC)nc(N2CCCC2)n1
InChIInChI=1S/C15H28N6/c1-5-12(3)11-20(6-2)14-17-13(16-4)18-15(19-14)21-9-7-8-10-21/h12H,5-11H2,1-4H3,(H,16,17,18,19)
InChIKeyNJOVHZJOGXSVMZ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.39
Rot. Bonds7

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

4-N-ethyl-2-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80835377) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-N-ethyl-2-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80835377
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name4-N-ethyl-2-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)CN(CC)c1nc(NC)nc(N2CCCC2)n1
InChIInChI=1S/C15H28N6/c1-5-12(3)11-20(6-2)14-17-13(16-4)18-15(19-14)21-9-7-8-10-21/h12H,5-11H2,1-4H3,(H,16,17,18,19)
InChIKeyNJOVHZJOGXSVMZ-UHFFFAOYSA-N
XLogP2.39
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.39
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
2-N,4-N,4-N-triethyl-6-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80836449
2-N,4-N-dimethyl-4-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80792687
2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80773484
2-N-methyl-4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80788697
2-N,4-N-dimethyl-4-N-(2-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80839498
2-[cyanomethyl-[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]acetonitrile
CID 80757445
2-N,4-N-dimethyl-4-N-(1-methylsulfanylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 115988768
2-N,4-N,4-N-trimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80764986
4-N-ethyl-2-N-methyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773862
4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80790015
4-N,4-N-diethyl-6-(3-methoxypiperidin-1-yl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 102971648

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80835377) is 4-N-ethyl-2-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-ethyl-2-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCC(C)CN(CC)c1nc(NC)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-ethyl-2-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is NJOVHZJOGXSVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-5-12(3)11-20(6-2)14-17-13(16-4)18-15(19-14)21-9-7-8-10-21/h12H,5-11H2,1-4H3,(H,16,17,18,19).
What are the key properties of 4-N-ethyl-2-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80835377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).