4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C11H18ClN5O3 — CID 106197141

IUPAC4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOC(CNc1nc(Cl)nc(N2CCOCC2)n1)OC
InChIInChI=1S/C11H18ClN5O3/c1-18-8(19-2)7-13-10-14-9(12)15-11(16-10)17-3-5-20-6-4-17/h8H,3-7H2,1-2H3,(H,13,14,15,16)
InChIKeyRAVPUCSQFJCRMM-UHFFFAOYSA-N
MW303.75 g/mol
LogP0.39
Rot. Bonds6

About 4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 106197141) has the molecular formula C11H18ClN5O3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID106197141
Molecular FormulaC11H18ClN5O3
Molecular Weight303.75 g/mol
Exact Mass303.11
IUPAC Name4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOC(CNc1nc(Cl)nc(N2CCOCC2)n1)OC
InChIInChI=1S/C11H18ClN5O3/c1-18-8(19-2)7-13-10-14-9(12)15-11(16-10)17-3-5-20-6-4-17/h8H,3-7H2,1-2H3,(H,13,14,15,16)
InChIKeyRAVPUCSQFJCRMM-UHFFFAOYSA-N
XLogP0.39
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106197165
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 55125040
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 113492552
4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62868206
3-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide
CID 106178654
4-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 64913356
4-chloro-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 759895
4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62863402
2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864568
6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine
CID 122714726
N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 114156784
4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
CID 139072586

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 106197141) is 4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is COC(CNc1nc(Cl)nc(N2CCOCC2)n1)OC.
What is the InChIKey of 4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is RAVPUCSQFJCRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O3/c1-18-8(19-2)7-13-10-14-9(12)15-11(16-10)17-3-5-20-6-4-17/h8H,3-7H2,1-2H3,(H,13,14,15,16).
What are the key properties of 4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 303.75 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106197141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).