5-[(E)-[bis(2-hydroxyethyl)hydrazinylidene]methyl]-6-methyl-1H-pyrimidine-2,4-dione

C10H16N4O4 — CID 135603820

IUPAC5-[(E)-[bis(2-hydroxyethyl)hydrazinylidene]methyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1/C=N/N(CCO)CCO
InChIInChI=1S/C10H16N4O4/c1-7-8(9(17)13-10(18)12-7)6-11-14(2-4-15)3-5-16/h6,15-16H,2-5H2,1H3,(H2,12,13,17,18)/b11-6+
InChIKeyHNAQRWFUFTXRAD-IZZDOVSWSA-N
MW256.26 g/mol
LogP-2.01
Rot. Bonds6

About 5-[(E)-[bis(2-hydroxyethyl)hydrazinylidene]methyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[(E)-[bis(2-hydroxyethyl)hydrazinylidene]methyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 135603820) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-[(E)-[bis(2-hydroxyethyl)hydrazinylidene]methyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-[bis(2-hydroxyethyl)hydrazinylidene]methyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID135603820
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name5-[(E)-[bis(2-hydroxyethyl)hydrazinylidene]methyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1/C=N/N(CCO)CCO
InChIInChI=1S/C10H16N4O4/c1-7-8(9(17)13-10(18)12-7)6-11-14(2-4-15)3-5-16/h6,15-16H,2-5H2,1H3,(H2,12,13,17,18)/b11-6+
InChIKeyHNAQRWFUFTXRAD-IZZDOVSWSA-N
XLogP-2.01
TPSA121.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-2.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-[bis(2-hydroxyethyl)hydrazinylidene]methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-[bis(2-hydroxyethyl)hydrazinylidene]methyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 135603820) is 5-[(E)-[bis(2-hydroxyethyl)hydrazinylidene]methyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-[bis(2-hydroxyethyl)hydrazinylidene]methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-[bis(2-hydroxyethyl)hydrazinylidene]methyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1/C=N/N(CCO)CCO.
What is the InChIKey of 5-[(E)-[bis(2-hydroxyethyl)hydrazinylidene]methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is HNAQRWFUFTXRAD-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-7-8(9(17)13-10(18)12-7)6-11-14(2-4-15)3-5-16/h6,15-16H,2-5H2,1H3,(H2,12,13,17,18)/b11-6+.
What are the key properties of 5-[(E)-[bis(2-hydroxyethyl)hydrazinylidene]methyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[(E)-[bis(2-hydroxyethyl)hydrazinylidene]methyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 256.26 g/mol, XLogP of -2.01, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-[bis(2-hydroxyethyl)hydrazinylidene]methyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135603820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).