2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C16H21N5O2 — CID 135521623

IUPAC2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)c1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)c(O)c1
InChIInChI=1S/C16H21N5O2/c1-4-21(5-2)13-7-6-12(14(22)9-13)10-17-20-16-18-11(3)8-15(23)19-16/h6-10,22H,4-5H2,1-3H3,(H2,18,19,20,23)/b17-10+
InChIKeySIZRILDZWSFJEO-LICLKQGHSA-N
MW315.38 g/mol
LogP2.08
Rot. Bonds6

About 2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135521623) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135521623
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCN(CC)c1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)c(O)c1
InChIInChI=1S/C16H21N5O2/c1-4-21(5-2)13-7-6-12(14(22)9-13)10-17-20-16-18-11(3)8-15(23)19-16/h6-10,22H,4-5H2,1-3H3,(H2,18,19,20,23)/b17-10+
InChIKeySIZRILDZWSFJEO-LICLKQGHSA-N
XLogP2.08
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.08
H-Bond Donors ≤ 53
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

[[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]thiourea
CID 135435710
N-benzyl-4-{2-[4-(diethylamino)-2-hydroxybenzylidene]hydrazino}-4-oxobutanamide
CID 135401468
1-[[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]-3-methylthiourea
CID 135519865
1-benzyl-3-[[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methyl]amino]thiourea
CID 135521626
1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-phenylthiourea
CID 135560362
1-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-propan-2-ylthiourea
CID 135558452
2-[(3-hydroxy-4-methylphenyl)amino]-6-propyl-4(3H)-pyrimidinone
CID 135546706
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135615683
N-[4-({(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene}amino)phenyl]acetamide
CID 738975
1,2-bis[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]guanidine
CID 137175133
(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one
CID 135505217
1,2-bis[(E)-[4-(dimethylamino)-2-hydroxyphenyl]methylideneamino]guanidine
CID 172918114

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135521623) is 2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is CCN(CC)c1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)c(O)c1.
What is the InChIKey of 2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is SIZRILDZWSFJEO-LICLKQGHSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-4-21(5-2)13-7-6-12(14(22)9-13)10-17-20-16-18-11(3)8-15(23)19-16/h6-10,22H,4-5H2,1-3H3,(H2,18,19,20,23)/b17-10+.
What are the key properties of 2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 315.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[[4-(diethylamino)-2-hydroxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135521623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).