2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine

C14H25N7 — CID 80785173

IUPAC2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NC2CCN3CCCC23)n1
InChIInChI=1S/C14H25N7/c1-3-20(4-2)14-18-12(15)17-13(19-14)16-10-7-9-21-8-5-6-11(10)21/h10-11H,3-9H2,1-2H3,(H3,15,16,17,18,19)
InChIKeySIORQEJPIHYQRM-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.95
Rot. Bonds5

About 2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 80785173) has the molecular formula C14H25N7 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID80785173
Molecular FormulaC14H25N7
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC Name2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NC2CCN3CCCC23)n1
InChIInChI=1S/C14H25N7/c1-3-20(4-2)14-18-12(15)17-13(19-14)16-10-7-9-21-8-5-6-11(10)21/h10-11H,3-9H2,1-2H3,(H3,15,16,17,18,19)
InChIKeySIORQEJPIHYQRM-UHFFFAOYSA-N
XLogP0.95
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-(2,3-dimethylcyclohexyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80772477
4-N-(2,3-dimethylcyclopentyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80841384
2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine
CID 80802963
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 55136077
N-(4-ethoxy-6-methylpyrimidin-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 112637279
2-N-(2,3-dimethylcyclopentyl)-4-N,4-N-diethyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
CID 80909767
4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80767241
4-N,4-N-diethyl-6-hydrazinyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80938212
4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 81042433
4-N-(2,2-dimethyloxan-4-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 83036316
6-[3-(dimethylamino)piperidin-1-yl]-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80833498
2-N-(cyclopropylmethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80839965

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine (CID 80785173) is 2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(NC2CCN3CCCC23)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SIORQEJPIHYQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N7/c1-3-20(4-2)14-18-12(15)17-13(19-14)16-10-7-9-21-8-5-6-11(10)21/h10-11H,3-9H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 291.40 g/mol, XLogP of 0.95, 5 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-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80785173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).