2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile

C10H14N6O2 — CID 27101337

IUPAC2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESCNc1nc(OCC#N)nc(N2CCOCC2)n1
InChIInChI=1S/C10H14N6O2/c1-12-8-13-9(16-3-6-17-7-4-16)15-10(14-8)18-5-2-11/h3-7H2,1H3,(H,12,13,14,15)
InChIKeyOSTGVODPISWQCR-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.35
Rot. Bonds4

About 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile

2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile (PubChem CID 27101337) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
PubChem CID27101337
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESCNc1nc(OCC#N)nc(N2CCOCC2)n1
InChIInChI=1S/C10H14N6O2/c1-12-8-13-9(16-3-6-17-7-4-16)15-10(14-8)18-5-2-11/h3-7H2,1H3,(H,12,13,14,15)
InChIKeyOSTGVODPISWQCR-UHFFFAOYSA-N
XLogP-0.35
TPSA96.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2,2-difluoroethoxy)-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 82009481
4-methoxy-N-methyl-6-(1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 80823279
4-cyclobutyloxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872862
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
2-N-(2-methoxyethyl)-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765285
4-but-3-ynoxy-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106795532
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethanol
CID 80866849
N-ethyl-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine
CID 110178646
2-N-cyclopropyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80769956
4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 106332082
N-methyl-4-(2-methylmorpholin-4-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 80764718
2-methyl-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 80824824

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
The IUPAC name of 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile (CID 27101337) is 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile.
What is the SMILES notation for 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
The canonical SMILES for 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile is CNc1nc(OCC#N)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
The InChIKey is OSTGVODPISWQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-12-8-13-9(16-3-6-17-7-4-16)15-10(14-8)18-5-2-11/h3-7H2,1H3,(H,12,13,14,15).
What are the key properties of 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile?
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile has a molecular weight of 250.26 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile is sourced from PubChem (CID 27101337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).