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

C14H28N6O — CID 80771079

IUPAC2-N,2-N-diethyl-4-N-(1-methoxypropan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NC(C)COC)nc(N(CC)CC)n1
InChIInChI=1S/C14H28N6O/c1-6-9-15-12-17-13(16-11(4)10-21-5)19-14(18-12)20(7-2)8-3/h11H,6-10H2,1-5H3,(H2,15,16,17,18,19)
InChIKeyBCKMIIDYDBWONX-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.99
Rot. Bonds10

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

2-N,2-N-diethyl-4-N-(1-methoxypropan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80771079) has the molecular formula C14H28N6O and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(1-methoxypropan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(1-methoxypropan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80771079
Molecular FormulaC14H28N6O
Molecular Weight296.42 g/mol
Exact Mass296.23
IUPAC Name2-N,2-N-diethyl-4-N-(1-methoxypropan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCNc1nc(NC(C)COC)nc(N(CC)CC)n1
InChIInChI=1S/C14H28N6O/c1-6-9-15-12-17-13(16-11(4)10-21-5)19-14(18-12)20(7-2)8-3/h11H,6-10H2,1-5H3,(H2,15,16,17,18,19)
InChIKeyBCKMIIDYDBWONX-UHFFFAOYSA-N
XLogP1.99
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-chloro-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 21161219
2-N,2-N-diethyl-4-N-(2-methoxyethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80766275
6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80865178
2-N,2-N-diethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80827536
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80785414
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267
6-ethoxy-2-N-ethyl-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80790033
2-N,2-N,6-N-triethyl-4-N-(3-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80785774
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780126
2-N,2-N-dimethyl-4-N-(3-methylpentan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80802969
1-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 80848621
2-N,2-N-diethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80870733

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(1-methoxypropan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(1-methoxypropan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine (CID 80771079) is 2-N,2-N-diethyl-4-N-(1-methoxypropan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(1-methoxypropan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(1-methoxypropan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine is CCCNc1nc(NC(C)COC)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(1-methoxypropan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BCKMIIDYDBWONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O/c1-6-9-15-12-17-13(16-11(4)10-21-5)19-14(18-12)20(7-2)8-3/h11H,6-10H2,1-5H3,(H2,15,16,17,18,19).
What are the key properties of 2-N,2-N-diethyl-4-N-(1-methoxypropan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N-(1-methoxypropan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 296.42 g/mol, XLogP of 1.99, 10 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-(1-methoxypropan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80771079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).