2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C14H26N6O — CID 80781816

IUPAC2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCCC(C)Nc1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C14H26N6O/c1-3-4-5-6-11(2)16-13-17-12(15)18-14(19-13)20-7-9-21-10-8-20/h11H,3-10H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyMBOARIBKXDCPRZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.67
Rot. Bonds7

About 2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80781816) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID80781816
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCCC(C)Nc1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C14H26N6O/c1-3-4-5-6-11(2)16-13-17-12(15)18-14(19-13)20-7-9-21-10-8-20/h11H,3-10H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyMBOARIBKXDCPRZ-UHFFFAOYSA-N
XLogP1.67
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(4-methoxybutan-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80844752
ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80783472
4-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 80852828
(2S)-2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80848988
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 83180133
2-N-butan-2-yl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765648
4-chloro-N-(5-methylhexan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 63925326
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 80781706
4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80862100
2-N-[1-(furan-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80774193
4-N-butyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80753907

Frequently Asked Questions

What is the IUPAC name of 2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 80781816) is 2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CCCCCC(C)Nc1nc(N)nc(N2CCOCC2)n1.
What is the InChIKey of 2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is MBOARIBKXDCPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-3-4-5-6-11(2)16-13-17-12(15)18-14(19-13)20-7-9-21-10-8-20/h11H,3-10H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 294.40 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80781816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).