N-[(Z)-benzylideneamino]-2,6-bis(phenylmethoxy)pyrimidin-4-amine

C25H22N4O2 — CID 6286476

IUPACN-[(Z)-benzylideneamino]-2,6-bis(phenylmethoxy)pyrimidin-4-amine
SMILESC(=N\Nc1cc(OCc2ccccc2)nc(OCc2ccccc2)n1)\c1ccccc1
InChIInChI=1S/C25H22N4O2/c1-4-10-20(11-5-1)17-26-29-23-16-24(30-18-21-12-6-2-7-13-21)28-25(27-23)31-19-22-14-8-3-9-15-22/h1-17H,18-19H2,(H,27,28,29)/b26-17-
InChIKeyIUEYMOKWVMCYQO-ONUIUJJFSA-N
MW410.48 g/mol
LogP5.08
Rot. Bonds9

About N-[(Z)-benzylideneamino]-2,6-bis(phenylmethoxy)pyrimidin-4-amine

N-[(Z)-benzylideneamino]-2,6-bis(phenylmethoxy)pyrimidin-4-amine (PubChem CID 6286476) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-2,6-bis(phenylmethoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-2,6-bis(phenylmethoxy)pyrimidin-4-amine
PubChem CID6286476
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-[(Z)-benzylideneamino]-2,6-bis(phenylmethoxy)pyrimidin-4-amine
SMILESC(=N\Nc1cc(OCc2ccccc2)nc(OCc2ccccc2)n1)\c1ccccc1
InChIInChI=1S/C25H22N4O2/c1-4-10-20(11-5-1)17-26-29-23-16-24(30-18-21-12-6-2-7-13-21)28-25(27-23)31-19-22-14-8-3-9-15-22/h1-17H,18-19H2,(H,27,28,29)/b26-17-
InChIKeyIUEYMOKWVMCYQO-ONUIUJJFSA-N
XLogP5.08
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5008756
4,6-dimethoxy-2-phenylmethoxypyrimidine
CID 19977712
N-(benzylideneamino)isoquinolin-3-amine
CID 85439372
3-chloro-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoxalin-2-amine
CID 56725881
3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5207019
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-6-chloropyridazin-3-amine
CID 6845161
N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 110532594
2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one
CID 137186661
2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 6313295
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
N-methyl-6-phenylmethoxy-2-propylpyrimidin-4-amine
CID 80950051
N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773682

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-2,6-bis(phenylmethoxy)pyrimidin-4-amine?
The IUPAC name of N-[(Z)-benzylideneamino]-2,6-bis(phenylmethoxy)pyrimidin-4-amine (CID 6286476) is N-[(Z)-benzylideneamino]-2,6-bis(phenylmethoxy)pyrimidin-4-amine.
What is the SMILES notation for N-[(Z)-benzylideneamino]-2,6-bis(phenylmethoxy)pyrimidin-4-amine?
The canonical SMILES for N-[(Z)-benzylideneamino]-2,6-bis(phenylmethoxy)pyrimidin-4-amine is C(=N\Nc1cc(OCc2ccccc2)nc(OCc2ccccc2)n1)\c1ccccc1.
What is the InChIKey of N-[(Z)-benzylideneamino]-2,6-bis(phenylmethoxy)pyrimidin-4-amine?
The InChIKey is IUEYMOKWVMCYQO-ONUIUJJFSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-4-10-20(11-5-1)17-26-29-23-16-24(30-18-21-12-6-2-7-13-21)28-25(27-23)31-19-22-14-8-3-9-15-22/h1-17H,18-19H2,(H,27,28,29)/b26-17-.
What are the key properties of N-[(Z)-benzylideneamino]-2,6-bis(phenylmethoxy)pyrimidin-4-amine?
N-[(Z)-benzylideneamino]-2,6-bis(phenylmethoxy)pyrimidin-4-amine has a molecular weight of 410.48 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-2,6-bis(phenylmethoxy)pyrimidin-4-amine is sourced from PubChem (CID 6286476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).