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

C14H26N6 — CID 80783139

IUPAC2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)CN(C)c1nc(NC)nc(N2CCCC2)n1
InChIInChI=1S/C14H26N6/c1-5-11(2)10-19(4)13-16-12(15-3)17-14(18-13)20-8-6-7-9-20/h11H,5-10H2,1-4H3,(H,15,16,17,18)
InChIKeyLEADXPYZOAWNEA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.00
Rot. Bonds6

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

2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80783139) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80783139
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)CN(C)c1nc(NC)nc(N2CCCC2)n1
InChIInChI=1S/C14H26N6/c1-5-11(2)10-19(4)13-16-12(15-3)17-14(18-13)20-8-6-7-9-20/h11H,5-10H2,1-4H3,(H,15,16,17,18)
InChIKeyLEADXPYZOAWNEA-UHFFFAOYSA-N
XLogP2.00
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80773484
4-N-ethyl-2-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80835377
4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784659
2-N,4-N-dimethyl-4-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80792687
4-N-butyl-2-N,4-N-dimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80753745
4-N-(2,2-dimethylpropyl)-2-N,4-N-dimethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80819118
4-N-(2,2-dimethylpropyl)-2-N,4-N-dimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80793330
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-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,4-N-trimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80764986
1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80800829
2-N,4-N-dimethyl-4-N-(1-methylsulfanylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 115988768

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80783139) is 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCC(C)CN(C)c1nc(NC)nc(N2CCCC2)n1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is LEADXPYZOAWNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-5-11(2)10-19(4)13-16-12(15-3)17-14(18-13)20-8-6-7-9-20/h11H,5-10H2,1-4H3,(H,15,16,17,18).
What are the key properties of 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80783139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).