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

C15H28N6 — CID 80774589

IUPAC2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N2CCCC2)nc(N(C)C(C)C(C)C)n1
InChIInChI=1S/C15H28N6/c1-6-16-13-17-14(20(5)12(4)11(2)3)19-15(18-13)21-9-7-8-10-21/h11-12H,6-10H2,1-5H3,(H,16,17,18,19)
InChIKeyCLURNVLJTQFXST-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.38
Rot. Bonds6

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

2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80774589) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80774589
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N2CCCC2)nc(N(C)C(C)C(C)C)n1
InChIInChI=1S/C15H28N6/c1-6-16-13-17-14(20(5)12(4)11(2)3)19-15(18-13)21-9-7-8-10-21/h11-12H,6-10H2,1-5H3,(H,16,17,18,19)
InChIKeyCLURNVLJTQFXST-UHFFFAOYSA-N
XLogP2.38
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 80800829
4-N-cyclopropyl-2-N-ethyl-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775644
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
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
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-ethyl-2-N-(3-methylbutan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80757822
4-N-ethyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770163
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80756226
1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80779055
2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80819399
2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779410

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 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) is 2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(N2CCCC2)nc(N(C)C(C)C(C)C)n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is CLURNVLJTQFXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-6-16-13-17-14(20(5)12(4)11(2)3)19-15(18-13)21-9-7-8-10-21/h11-12H,6-10H2,1-5H3,(H,16,17,18,19).
What are the key properties of 2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80774589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).