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

C15H28N6 — CID 80818552

IUPAC2-N-(3-ethylpentan-2-yl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(CC)C(C)Nc1nc(NC)nc(N2CCCC2)n1
InChIInChI=1S/C15H28N6/c1-5-12(6-2)11(3)17-14-18-13(16-4)19-15(20-14)21-9-7-8-10-21/h11-12H,5-10H2,1-4H3,(H2,16,17,18,19,20)
InChIKeyBLXLVDSOVLYYOA-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.75
Rot. Bonds7

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

2-N-(3-ethylpentan-2-yl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80818552) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-N-(3-ethylpentan-2-yl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-ethylpentan-2-yl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80818552
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name2-N-(3-ethylpentan-2-yl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(CC)C(C)Nc1nc(NC)nc(N2CCCC2)n1
InChIInChI=1S/C15H28N6/c1-5-12(6-2)11(3)17-14-18-13(16-4)19-15(20-14)21-9-7-8-10-21/h11-12H,5-10H2,1-4H3,(H2,16,17,18,19,20)
InChIKeyBLXLVDSOVLYYOA-UHFFFAOYSA-N
XLogP2.75
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N-ethyl-2-N-(3-methylbutan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80757822
2-N-(1-cyclopropylpropan-2-yl)-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80820229
4-N-methyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770344
N-propan-2-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 623866
2-N,4-N-dimethyl-4-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80792687
2-methyl-1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80842795
4-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80840379
N-(1-ethoxypropan-2-yl)-4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80903537
2-N,4-N-dimethyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783139
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-6-piperidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80785798
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 80780756

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethylpentan-2-yl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-ethylpentan-2-yl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80818552) is 2-N-(3-ethylpentan-2-yl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-ethylpentan-2-yl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-ethylpentan-2-yl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCC(CC)C(C)Nc1nc(NC)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-(3-ethylpentan-2-yl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is BLXLVDSOVLYYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-5-12(6-2)11(3)17-14-18-13(16-4)19-15(20-14)21-9-7-8-10-21/h11-12H,5-10H2,1-4H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(3-ethylpentan-2-yl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(3-ethylpentan-2-yl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethylpentan-2-yl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80818552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).