4-methyl-2-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]-1H-pyrimidin-6-one

C18H21N5O — CID 135796357

IUPAC4-methyl-2-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C\C=C2/N(C)c3ccccc3C2(C)C)n1
InChIInChI=1S/C18H21N5O/c1-12-11-16(24)21-17(20-12)22-19-10-9-15-18(2,3)13-7-5-6-8-14(13)23(15)4/h5-11H,1-4H3,(H2,20,21,22,24)/b15-9-,19-10-
InChIKeyLTCQTJJPVXPGHQ-JHMILNJQSA-N
MW323.40 g/mol
LogP2.79
Rot. Bonds3

About 4-methyl-2-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]-1H-pyrimidin-6-one

4-methyl-2-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135796357) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-methyl-2-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135796357
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-methyl-2-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C\C=C2/N(C)c3ccccc3C2(C)C)n1
InChIInChI=1S/C18H21N5O/c1-12-11-16(24)21-17(20-12)22-19-10-9-15-18(2,3)13-7-5-6-8-14(13)23(15)4/h5-11H,1-4H3,(H2,20,21,22,24)/b15-9-,19-10-
InChIKeyLTCQTJJPVXPGHQ-JHMILNJQSA-N
XLogP2.79
TPSA73.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine
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CID 4073260
2-chloro-5-[(2E)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzoate
CID 6901436
2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135460312
2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135421727
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
3-nitro-4-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzenesulfonamide
CID 6303807
2,5-dimethyl-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]furan-3-carboxamide
CID 3956805
2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide
CID 6906259
N-(4-methylphenyl)-N'-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]oxamide
CID 9155558
N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
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4-hydroxy-N-[[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 135796357) is 4-methyl-2-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C\C=C2/N(C)c3ccccc3C2(C)C)n1.
What is the InChIKey of 4-methyl-2-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is LTCQTJJPVXPGHQ-JHMILNJQSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-11-16(24)21-17(20-12)22-19-10-9-15-18(2,3)13-7-5-6-8-14(13)23(15)4/h5-11H,1-4H3,(H2,20,21,22,24)/b15-9-,19-10-.
What are the key properties of 4-methyl-2-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 323.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135796357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).