4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C14H26N6O — CID 106332082

IUPAC4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)(CC)Nc1nc(NC)nc(N2CCOCC2)n1
InChIInChI=1S/C14H26N6O/c1-5-14(3,6-2)19-12-16-11(15-4)17-13(18-12)20-7-9-21-10-8-20/h5-10H2,1-4H3,(H2,15,16,17,18,19)
InChIKeySSAXDFOOQYKCIC-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.74
Rot. Bonds6

About 4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 106332082) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID106332082
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)(CC)Nc1nc(NC)nc(N2CCOCC2)n1
InChIInChI=1S/C14H26N6O/c1-5-14(3,6-2)19-12-16-11(15-4)17-13(18-12)20-7-9-21-10-8-20/h5-10H2,1-4H3,(H2,15,16,17,18,19)
InChIKeySSAXDFOOQYKCIC-UHFFFAOYSA-N
XLogP1.74
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 106332082) is 4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CCC(C)(CC)Nc1nc(NC)nc(N2CCOCC2)n1.
What is the InChIKey of 4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is SSAXDFOOQYKCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-5-14(3,6-2)19-12-16-11(15-4)17-13(18-12)20-7-9-21-10-8-20/h5-10H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 294.40 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106332082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).