N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine

C15H18N4O3 — CID 67916512

IUPACN-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine
SMILESCCNN=Cc1ccccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C15H18N4O3/c1-4-16-17-10-11-7-5-6-8-12(11)22-15-18-13(20-2)9-14(19-15)21-3/h5-10,16H,4H2,1-3H3
InChIKeyRPJBXXKTERZWGU-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.23
Rot. Bonds7

About N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine

N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine (PubChem CID 67916512) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine.

Molecular Properties

Compound NameN-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine
PubChem CID67916512
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine
SMILESCCNN=Cc1ccccc1Oc1nc(OC)cc(OC)n1
InChIInChI=1S/C15H18N4O3/c1-4-16-17-10-11-7-5-6-8-12(11)22-15-18-13(20-2)9-14(19-15)21-3/h5-10,16H,4H2,1-3H3
InChIKeyRPJBXXKTERZWGU-UHFFFAOYSA-N
XLogP2.23
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-3-ethylurea
CID 3266951
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline
CID 4601155
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]thiophene-2-carboxamide
CID 3657523
1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]-N-(3-methoxyphenyl)methanimine;ethane
CID 143730152
N-[[2-[(4,6-dimethoxy-2-pyridinyl)oxy]phenyl]methylideneamino]aniline
CID 67848902
(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
CID 88512625
tert-butyl 2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]oxy-3-methylbutanoate
CID 3375552
(Z)-N-[(E)-3-(3-chlorophenyl)prop-2-enoxy]-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methanimine
CID 88512667
2-[2-(dimethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine
CID 19801417
4,6-dimethoxy-2-[2-(2-nitroprop-1-enyl)phenoxy]pyrimidine
CID 67671717
[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol
CID 54218781
2-[2-(diethoxymethyl)phenoxy]-4,6-dimethoxypyrimidine
CID 19801415

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine?
The IUPAC name of N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine (CID 67916512) is N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine.
What is the SMILES notation for N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine?
The canonical SMILES for N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine is CCNN=Cc1ccccc1Oc1nc(OC)cc(OC)n1.
What is the InChIKey of N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine?
The InChIKey is RPJBXXKTERZWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-4-16-17-10-11-7-5-6-8-12(11)22-15-18-13(20-2)9-14(19-15)21-3/h5-10,16H,4H2,1-3H3.
What are the key properties of N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine?
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine has a molecular weight of 302.33 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]ethanamine is sourced from PubChem (CID 67916512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).