4-[(E)-C-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbonimidoyl]phenol

C16H19N5O2 — CID 135443115

IUPAC4-[(E)-C-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbonimidoyl]phenol
SMILESC/C(=N\Nc1cc(N2CCOCC2)ncn1)c1ccc(O)cc1
InChIInChI=1S/C16H19N5O2/c1-12(13-2-4-14(22)5-3-13)19-20-15-10-16(18-11-17-15)21-6-8-23-9-7-21/h2-5,10-11,22H,6-9H2,1H3,(H,17,18,20)/b19-12+
InChIKeyBWFBNAGPPJNPNJ-XDHOZWIPSA-N
MW313.36 g/mol
LogP1.85
Rot. Bonds4

About 4-[(E)-C-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbonimidoyl]phenol

4-[(E)-C-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbonimidoyl]phenol (PubChem CID 135443115) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-[(E)-C-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(E)-C-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbonimidoyl]phenol
PubChem CID135443115
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name4-[(E)-C-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbonimidoyl]phenol
SMILESC/C(=N\Nc1cc(N2CCOCC2)ncn1)c1ccc(O)cc1
InChIInChI=1S/C16H19N5O2/c1-12(13-2-4-14(22)5-3-13)19-20-15-10-16(18-11-17-15)21-6-8-23-9-7-21/h2-5,10-11,22H,6-9H2,1H3,(H,17,18,20)/b19-12+
InChIKeyBWFBNAGPPJNPNJ-XDHOZWIPSA-N
XLogP1.85
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135443121
N-(6-Morpholin-4-yl-pyrimidin-4-yl)-N'-(1-phenyl-ethylidene)-hydrazine
CID 9589750
4-{4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9609361
2-Hydroxy-3-methoxybenzaldehyde [6-(4-morpholinyl)-4-pyrimidinyl]hydrazone
CID 135421709
2-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-3-ium-4-yl]hydrazinylidene}methyl]phenolate
CID 135549744
4-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-4-yl]hydrazinylidene}methyl]benzene-1,3-diol
CID 135650528
4-(4-Butoxybenzylidenehydrazino)-2-methyl-6-morpholinopyrimidine
CID 9589764
4-{4-[(2E)-2-(4-ethoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9610620
4-(4-Ethoxy-2-hydroxybenzylidenehydrazino)-2-methyl-6-morpholinopyrimidine
CID 135443126
4-{4-[(2E)-2-(2-methoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9609048
2-[[(2-Methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3099296
2-[(6-Morpholin-4-yl-pyrimidin-4-yl)-hydrazonomethyl]-5-propoxy-phenol
CID 135443118

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-C-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbonimidoyl]phenol?
The IUPAC name of 4-[(E)-C-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbonimidoyl]phenol (CID 135443115) is 4-[(E)-C-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbonimidoyl]phenol.
What is the SMILES notation for 4-[(E)-C-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbonimidoyl]phenol?
The canonical SMILES for 4-[(E)-C-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbonimidoyl]phenol is C/C(=N\Nc1cc(N2CCOCC2)ncn1)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-C-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbonimidoyl]phenol?
The InChIKey is BWFBNAGPPJNPNJ-XDHOZWIPSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-12(13-2-4-14(22)5-3-13)19-20-15-10-16(18-11-17-15)21-6-8-23-9-7-21/h2-5,10-11,22H,6-9H2,1H3,(H,17,18,20)/b19-12+.
What are the key properties of 4-[(E)-C-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbonimidoyl]phenol?
4-[(E)-C-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbonimidoyl]phenol has a molecular weight of 313.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-C-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)amino]carbonimidoyl]phenol is sourced from PubChem (CID 135443115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).