2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide

C19H24N4O4 — CID 110526268

IUPAC2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
SMILESCCCCCOc1ccc(/C=N\NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H24N4O4/c1-3-4-5-10-27-15-8-6-14(7-9-15)12-20-23-17(24)11-16-13(2)21-19(26)22-18(16)25/h6-9,12H,3-5,10-11H2,1-2H3,(H,23,24)(H2,21,22,25,26)/b20-12-
InChIKeyPAXBPIMKYTUVQG-NDENLUEZSA-N
MW372.43 g/mol
LogP1.63
Rot. Bonds9

About 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide

2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide (PubChem CID 110526268) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
PubChem CID110526268
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
SMILESCCCCCOc1ccc(/C=N\NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C19H24N4O4/c1-3-4-5-10-27-15-8-6-14(7-9-15)12-20-23-17(24)11-16-13(2)21-19(26)22-18(16)25/h6-9,12H,3-5,10-11H2,1-2H3,(H,23,24)(H2,21,22,25,26)/b20-12-
InChIKeyPAXBPIMKYTUVQG-NDENLUEZSA-N
XLogP1.63
TPSA116.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[(Z)-[[2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 110526232
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide
CID 4038788
N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 9074224
2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190683
2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190680
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
CID 46501793
2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 3562472
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide (CID 110526268) is 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide is CCCCCOc1ccc(/C=N\NC(=O)Cc2c(C)[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide?
The InChIKey is PAXBPIMKYTUVQG-NDENLUEZSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-3-4-5-10-27-15-8-6-14(7-9-15)12-20-23-17(24)11-16-13(2)21-19(26)22-18(16)25/h6-9,12H,3-5,10-11H2,1-2H3,(H,23,24)(H2,21,22,25,26)/b20-12-.
What are the key properties of 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide?
2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide has a molecular weight of 372.43 g/mol, XLogP of 1.63, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 110526268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).