2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine

C15H28N6 — CID 80775342

IUPAC2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N(CC)CC)nc(N2CCCC2CC)n1
InChIInChI=1S/C15H28N6/c1-5-12-10-9-11-21(12)15-18-13(16-6-2)17-14(19-15)20(7-3)8-4/h12H,5-11H2,1-4H3,(H,16,17,18,19)
InChIKeyBPVWRBMUOAUOBA-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.53
Rot. Bonds7

About 2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine

2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80775342) has the molecular formula C15H28N6 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80775342
Molecular FormulaC15H28N6
Molecular Weight292.43 g/mol
Exact Mass292.24
IUPAC Name2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N(CC)CC)nc(N2CCCC2CC)n1
InChIInChI=1S/C15H28N6/c1-5-12-10-9-11-21(12)15-18-13(16-6-2)17-14(19-15)20(7-3)8-4/h12H,5-11H2,1-4H3,(H,16,17,18,19)
InChIKeyBPVWRBMUOAUOBA-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80773407
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80774727
[1-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 80794784
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80776049
4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774325
N-ethyl-4-(2-ethylazepan-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 104693031
4-ethoxy-N-ethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80776425
4-(2-ethylazepan-1-yl)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 104693151
4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80797987
2-N-ethyl-6-(3-ethylmorpholin-4-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80789841
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 80798660
4-chloro-6-(2-ethylpyrrolidin-1-yl)-N-methyl-1,3,5-triazin-2-amine
CID 80797655

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine (CID 80775342) is 2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine is CCNc1nc(N(CC)CC)nc(N2CCCC2CC)n1.
What is the InChIKey of 2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BPVWRBMUOAUOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6/c1-5-12-10-9-11-21(12)15-18-13(16-6-2)17-14(19-15)20(7-3)8-4/h12H,5-11H2,1-4H3,(H,16,17,18,19).
What are the key properties of 2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine?
2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80775342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).