6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C13H22N6O — CID 6488389

IUPAC6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NC(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22N6O/c1-4-5-14-11-16-12(15-10(2)3)18-13(17-11)19-6-8-20-9-7-19/h4,10H,1,5-9H2,2-3H3,(H2,14,15,16,17,18)
InChIKeyKCMAZSHDUPHWEF-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.13
Rot. Bonds6

About 6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 6488389) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID6488389
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NC(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22N6O/c1-4-5-14-11-16-12(15-10(2)3)18-13(17-11)19-6-8-20-9-7-19/h4,10H,1,5-9H2,2-3H3,(H2,14,15,16,17,18)
InChIKeyKCMAZSHDUPHWEF-UHFFFAOYSA-N
XLogP1.13
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

2-N-(4-methoxyphenyl)-6-morpholin-4-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3146893
4-chloro-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 759895
2-N-butan-2-yl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765648
4-N-ethyl-6-morpholin-4-yl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80750303
N-propan-2-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 623866
N-(3,3-dimethylbutan-2-yl)-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 104830689
[4-morpholin-4-yl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]methylurea
CID 110178402
4-hydrazinyl-N-(3-methylbutyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80931558
N-ethyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 34253082
1-[[4-morpholin-4-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80773597
4-hydrazinyl-N-(4-methylpentyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80904883
N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
CID 13377446

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 6488389) is 6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NC(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of 6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KCMAZSHDUPHWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-4-5-14-11-16-12(15-10(2)3)18-13(17-11)19-6-8-20-9-7-19/h4,10H,1,5-9H2,2-3H3,(H2,14,15,16,17,18).
What are the key properties of 6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 278.36 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6488389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).