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

C14H26N6O — CID 83036316

IUPAC4-N-(2,2-dimethyloxan-4-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C14H26N6O/c1-5-20(6-2)13-18-11(15)17-12(19-13)16-10-7-8-21-14(3,4)9-10/h10H,5-9H2,1-4H3,(H3,15,16,17,18,19)
InChIKeyADXJBSSOURPHEO-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.67
Rot. Bonds5

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

4-N-(2,2-dimethyloxan-4-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 83036316) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-N-(2,2-dimethyloxan-4-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2,2-dimethyloxan-4-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID83036316
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name4-N-(2,2-dimethyloxan-4-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C14H26N6O/c1-5-20(6-2)13-18-11(15)17-12(19-13)16-10-7-8-21-14(3,4)9-10/h10H,5-9H2,1-4H3,(H3,15,16,17,18,19)
InChIKeyADXJBSSOURPHEO-UHFFFAOYSA-N
XLogP1.67
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethyloxan-4-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(2,2-dimethyloxan-4-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine (CID 83036316) is 4-N-(2,2-dimethyloxan-4-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2,2-dimethyloxan-4-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(2,2-dimethyloxan-4-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(NC2CCOC(C)(C)C2)n1.
What is the InChIKey of 4-N-(2,2-dimethyloxan-4-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ADXJBSSOURPHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-5-20(6-2)13-18-11(15)17-12(19-13)16-10-7-8-21-14(3,4)9-10/h10H,5-9H2,1-4H3,(H3,15,16,17,18,19).
What are the key properties of 4-N-(2,2-dimethyloxan-4-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(2,2-dimethyloxan-4-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 294.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethyloxan-4-yl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 83036316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).