2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C14H27N7 — CID 80772562

IUPAC2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NC)nc(NC2CCN(C)CC2)n1
InChIInChI=1S/C14H27N7/c1-5-21(6-2)14-18-12(15-3)17-13(19-14)16-11-7-9-20(4)10-8-11/h11H,5-10H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyCPYHJYDADXHGTL-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.27
Rot. Bonds6

About 2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80772562) has the molecular formula C14H27N7 and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80772562
Molecular FormulaC14H27N7
Molecular Weight293.42 g/mol
Exact Mass293.23
IUPAC Name2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NC)nc(NC2CCN(C)CC2)n1
InChIInChI=1S/C14H27N7/c1-5-21(6-2)14-18-12(15-3)17-13(19-14)16-11-7-9-20(4)10-8-11/h11H,5-10H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyCPYHJYDADXHGTL-UHFFFAOYSA-N
XLogP1.27
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine
CID 80802963
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-1-methylpyrrolidin-2-one
CID 106258794
2-N,2-N,6-N-trimethyl-4-N-(1-propylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 80783238
4-N-(2-cyclopropylethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80847463
4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 117090153
4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80768855
4-N,4-N-diethyl-6-(3-methoxypiperidin-1-yl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 102971648
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80773407
2-N,2-N-diethyl-4-N-(2-methoxyethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80766275
2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80833360
4-N-(cyclopentylmethyl)-2-N,2-N-diethyl-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80816084
2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
CID 80909767

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 80772562) is 2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(NC)nc(NC2CCN(C)CC2)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is CPYHJYDADXHGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N7/c1-5-21(6-2)14-18-12(15-3)17-13(19-14)16-11-7-9-20(4)10-8-11/h11H,5-10H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 293.42 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-N-methyl-4-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80772562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).