2-[(Z)-N-[[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]amino]-C-methylcarbonimidoyl]phenol

C25H22N4O2 — CID 136747859

IUPAC2-[(Z)-N-[[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]amino]-C-methylcarbonimidoyl]phenol
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(N/N=C(/C)c3ccccc3O)n2)cc1
InChIInChI=1S/C25H22N4O2/c1-17(21-10-6-7-11-24(21)30)28-29-25-26-22(18-8-4-3-5-9-18)16-23(27-25)19-12-14-20(31-2)15-13-19/h3-16,30H,1-2H3,(H,26,27,29)/b28-17-
InChIKeyAHHGDNUEZFPGSW-QRQIAZFYSA-N
MW410.48 g/mol
LogP5.36
Rot. Bonds6

About 2-[(Z)-N-[[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]amino]-C-methylcarbonimidoyl]phenol

2-[(Z)-N-[[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]amino]-C-methylcarbonimidoyl]phenol (PubChem CID 136747859) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[(Z)-N-[[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]amino]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[(Z)-N-[[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]amino]-C-methylcarbonimidoyl]phenol
PubChem CID136747859
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name2-[(Z)-N-[[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]amino]-C-methylcarbonimidoyl]phenol
SMILESCOc1ccc(-c2cc(-c3ccccc3)nc(N/N=C(/C)c3ccccc3O)n2)cc1
InChIInChI=1S/C25H22N4O2/c1-17(21-10-6-7-11-24(21)30)28-29-25-26-22(18-8-4-3-5-9-18)16-23(27-25)19-12-14-20(31-2)15-13-19/h3-16,30H,1-2H3,(H,26,27,29)/b28-17-
InChIKeyAHHGDNUEZFPGSW-QRQIAZFYSA-N
XLogP5.36
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine
CID 23649159
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 3092304
N-[(E)-1-(4-ethylphenyl)ethylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338885
4-(4-bromophenyl)-N-[(Z)-1-(2,3,4,5,6-pentafluorophenyl)ethylideneamino]-6-phenylpyrimidin-2-amine
CID 5339080
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914091
4-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol
CID 2842182
4-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-6-phenylpyrimidin-2-amine
CID 7451972
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2,2-bis(4-methoxyphenyl)acetamide
CID 135684346
2-[N-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 3787858
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 3660040
4-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 2842344

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N-[[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]amino]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[(Z)-N-[[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]amino]-C-methylcarbonimidoyl]phenol (CID 136747859) is 2-[(Z)-N-[[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]amino]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[(Z)-N-[[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]amino]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[(Z)-N-[[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]amino]-C-methylcarbonimidoyl]phenol is COc1ccc(-c2cc(-c3ccccc3)nc(N/N=C(/C)c3ccccc3O)n2)cc1.
What is the InChIKey of 2-[(Z)-N-[[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]amino]-C-methylcarbonimidoyl]phenol?
The InChIKey is AHHGDNUEZFPGSW-QRQIAZFYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-17(21-10-6-7-11-24(21)30)28-29-25-26-22(18-8-4-3-5-9-18)16-23(27-25)19-12-14-20(31-2)15-13-19/h3-16,30H,1-2H3,(H,26,27,29)/b28-17-.
What are the key properties of 2-[(Z)-N-[[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]amino]-C-methylcarbonimidoyl]phenol?
2-[(Z)-N-[[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]amino]-C-methylcarbonimidoyl]phenol has a molecular weight of 410.48 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-[[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]amino]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 136747859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).