2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol

C16H19N5O2 — CID 140590651

IUPAC2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol
SMILESCc1nc(C(=NN)c2ccccc2O)cc(N2CCOCC2)n1
InChIInChI=1S/C16H19N5O2/c1-11-18-13(10-15(19-11)21-6-8-23-9-7-21)16(20-17)12-4-2-3-5-14(12)22/h2-5,10,22H,6-9,17H2,1H3
InChIKeyQIKRATZALVNKFT-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.04
Rot. Bonds3

About 2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol

2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol (PubChem CID 140590651) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol.

Molecular Properties

Compound Name2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol
PubChem CID140590651
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol
SMILESCc1nc(C(=NN)c2ccccc2O)cc(N2CCOCC2)n1
InChIInChI=1S/C16H19N5O2/c1-11-18-13(10-15(19-11)21-6-8-23-9-7-21)16(20-17)12-4-2-3-5-14(12)22/h2-5,10,22H,6-9,17H2,1H3
InChIKeyQIKRATZALVNKFT-UHFFFAOYSA-N
XLogP1.04
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

2-methyl-N-[(2-methylphenyl)methyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365345
2-methyl-6-morpholin-4-yl-N-phenylpyrimidine-4-carboxamide
CID 109365407
methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109365464
N-(2,6-dimethylphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365418
2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365478
3,4-dihydro-1H-isoquinolin-2-yl-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365362
(2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267906
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365446
2-methyl-6-morpholin-4-yl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360582
[2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365554

Frequently Asked Questions

What is the IUPAC name of 2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol?
The IUPAC name of 2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol (CID 140590651) is 2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol.
What is the SMILES notation for 2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol?
The canonical SMILES for 2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol is Cc1nc(C(=NN)c2ccccc2O)cc(N2CCOCC2)n1.
What is the InChIKey of 2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol?
The InChIKey is QIKRATZALVNKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-11-18-13(10-15(19-11)21-6-8-23-9-7-21)16(20-17)12-4-2-3-5-14(12)22/h2-5,10,22H,6-9,17H2,1H3.
What are the key properties of 2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol?
2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol has a molecular weight of 313.36 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol is sourced from PubChem (CID 140590651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).