4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C15H28N6 — CID 80756226

IUPAC4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CC)c1nc(NCC)nc(N2CCCC2)n1
InChIInChI=1S/C15H28N6/c1-4-7-10-20(6-3)14-17-13(16-5-2)18-15(19-14)21-11-8-9-12-21/h4-12H2,1-3H3,(H,16,17,18,19)
InChIKeyJSOSHDTVPUQZHX-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.53
Rot. Bonds8

About 4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80756226) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80756226
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CC)c1nc(NCC)nc(N2CCCC2)n1
InChIInChI=1S/C15H28N6/c1-4-7-10-20(6-3)14-17-13(16-5-2)18-15(19-14)21-11-8-9-12-21/h4-12H2,1-3H3,(H,16,17,18,19)
InChIKeyJSOSHDTVPUQZHX-UHFFFAOYSA-N
XLogP2.53
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-butyl-4-N-ethyl-2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80756096
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80774589
4-N-butyl-2-N,4-N-dimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80753745
4-N-cyclopropyl-2-N-ethyl-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775644
2-N-butyl-2-N,4-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80753958
1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80800829
4-N-ethyl-2-N-methyl-6-morpholin-4-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773862
N-ethyl-4-hexoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80842497
4-N-ethyl-4-N-propan-2-yl-2-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772192
2-N,4-N-diethyl-4-N-propyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80774055

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80756226) is 4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCCCN(CC)c1nc(NCC)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is JSOSHDTVPUQZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-4-7-10-20(6-3)14-17-13(16-5-2)18-15(19-14)21-11-8-9-12-21/h4-12H2,1-3H3,(H,16,17,18,19).
What are the key properties of 4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80756226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).