2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline

C18H19N5O6 — CID 134106660

IUPAC2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
SMILESCOc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2N)n1
InChIInChI=1S/C18H19N5O6/c1-24-12-8-13(25-2)21-17(20-12)28-10-6-5-7-11(16(10)19)29-18-22-14(26-3)9-15(23-18)27-4/h5-9H,19H2,1-4H3
InChIKeyMHAVJCQTLDIUTN-UHFFFAOYSA-N
MW401.38 g/mol
LogP2.47
Rot. Bonds8

About 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline

2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline (PubChem CID 134106660) has the molecular formula C18H19N5O6 and a molecular weight of 401.38 g/mol. Its IUPAC name is 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline.

Molecular Properties

Compound Name2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
PubChem CID134106660
Molecular FormulaC18H19N5O6
Molecular Weight401.38 g/mol
Exact Mass401.13
IUPAC Name2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
SMILESCOc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2N)n1
InChIInChI=1S/C18H19N5O6/c1-24-12-8-13(25-2)21-17(20-12)28-10-6-5-7-11(16(10)19)29-18-22-14(26-3)9-15(23-18)27-4/h5-9H,19H2,1-4H3
InChIKeyMHAVJCQTLDIUTN-UHFFFAOYSA-N
XLogP2.47
TPSA132.96 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

3-(4,6-dimethoxypyrimidin-2-yl)oxypyridin-2-amine
CID 52934007
[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol
CID 54218781
4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline
CID 113292982
2-[2-(bromomethyl)-3-fluorophenoxy]-4,6-dimethoxypyrimidine
CID 141092576
disodium;2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoate;hydride
CID 173060137
2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine
CID 19801417
2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde
CID 15612007
3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid
CID 142634334
2-[2-[2-[2-[2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-fluorophenyl]ethoxy]ethyl]-3-fluorophenoxy]-4,6-dimethoxypyrimidine
CID 139604836
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioic S-acid
CID 88600635
2-[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]ethyl ethyl carbonate
CID 141043320
4,6-dimethoxy-2-pyridin-2-yloxypyrimidine
CID 91802250

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline?
The IUPAC name of 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline (CID 134106660) is 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline.
What is the SMILES notation for 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline?
The canonical SMILES for 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline is COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2N)n1.
What is the InChIKey of 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline?
The InChIKey is MHAVJCQTLDIUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O6/c1-24-12-8-13(25-2)21-17(20-12)28-10-6-5-7-11(16(10)19)29-18-22-14(26-3)9-15(23-18)27-4/h5-9H,19H2,1-4H3.
What are the key properties of 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline?
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline has a molecular weight of 401.38 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline is sourced from PubChem (CID 134106660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).