4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol

C14H16N4O — CID 135775097

IUPAC4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\Nc1nc(C)cc(C)n1)c1ccc(O)cc1
InChIInChI=1S/C14H16N4O/c1-9-8-10(2)16-14(15-9)18-17-11(3)12-4-6-13(19)7-5-12/h4-8,19H,1-3H3,(H,15,16,18)/b17-11+
InChIKeyAMNLBPOVUDOELF-GZTJUZNOSA-N
MW256.31 g/mol
LogP2.64
Rot. Bonds3

About 4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol

4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol (PubChem CID 135775097) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol
PubChem CID135775097
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\Nc1nc(C)cc(C)n1)c1ccc(O)cc1
InChIInChI=1S/C14H16N4O/c1-9-8-10(2)16-14(15-9)18-17-11(3)12-4-6-13(19)7-5-12/h4-8,19H,1-3H3,(H,15,16,18)/b17-11+
InChIKeyAMNLBPOVUDOELF-GZTJUZNOSA-N
XLogP2.64
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[C-methyl-N-[(4-methyl-6-phenylpyrimidin-2-yl)amino]carbonimidoyl]phenol
CID 2842182
N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013557
4,6-dimethyl-N-(1-naphthalen-2-ylethylideneamino)pyrimidin-2-amine
CID 3695756
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 4318963
4-[N-[(4-amino-6-chloropyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 2842121
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135922797
4,6-dimethyl-N-[(Z)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethylideneamino]pyrimidin-2-amine
CID 40882052
(2S)-2-[[4-[(Z)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]sulfonylamino]propanoic acid
CID 8971436
4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine
CID 2849003
4,6-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]pyrimidin-2-amine
CID 5199105
4-[(4,6-dimethylpyrimidin-2-yl)amino]phenol
CID 741703
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013664

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol (CID 135775097) is 4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol is C/C(=N\Nc1nc(C)cc(C)n1)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol?
The InChIKey is AMNLBPOVUDOELF-GZTJUZNOSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-8-10(2)16-14(15-9)18-17-11(3)12-4-6-13(19)7-5-12/h4-8,19H,1-3H3,(H,15,16,18)/b17-11+.
What are the key properties of 4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol?
4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol has a molecular weight of 256.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135775097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).