6-[4-[(4-amino-3-methanimidoyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione

C19H19N5O3 — CID 123178732

IUPAC6-[4-[(4-amino-3-methanimidoyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione
SMILES[H]/N=C/c1c(N)ccnc1Oc1ccc(-c2c(C)c(=O)[nH]c(=O)n2C)c(C)c1
InChIInChI=1S/C19H19N5O3/c1-10-8-12(27-18-14(9-20)15(21)6-7-22-18)4-5-13(10)16-11(2)17(25)23-19(26)24(16)3/h4-9,20H,1-3H3,(H2,21,22)(H,23,25,26)/b20-9+
InChIKeyUGXIEURFLKICDF-AWQFTUOYSA-N
MW365.39 g/mol
LogP2.12
Rot. Bonds4

About 6-[4-[(4-amino-3-methanimidoyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione

6-[4-[(4-amino-3-methanimidoyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 123178732) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 6-[4-[(4-amino-3-methanimidoyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-[(4-amino-3-methanimidoyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione
PubChem CID123178732
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name6-[4-[(4-amino-3-methanimidoyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione
SMILES[H]/N=C/c1c(N)ccnc1Oc1ccc(-c2c(C)c(=O)[nH]c(=O)n2C)c(C)c1
InChIInChI=1S/C19H19N5O3/c1-10-8-12(27-18-14(9-20)15(21)6-7-22-18)4-5-13(10)16-11(2)17(25)23-19(26)24(16)3/h4-9,20H,1-3H3,(H2,21,22)(H,23,25,26)/b20-9+
InChIKeyUGXIEURFLKICDF-AWQFTUOYSA-N
XLogP2.12
TPSA126.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-amino-3-methanimidoyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[4-[(4-amino-3-methanimidoyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione (CID 123178732) is 6-[4-[(4-amino-3-methanimidoyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-[(4-amino-3-methanimidoyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[4-[(4-amino-3-methanimidoyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione is [H]/N=C/c1c(N)ccnc1Oc1ccc(-c2c(C)c(=O)[nH]c(=O)n2C)c(C)c1.
What is the InChIKey of 6-[4-[(4-amino-3-methanimidoyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is UGXIEURFLKICDF-AWQFTUOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-10-8-12(27-18-14(9-20)15(21)6-7-22-18)4-5-13(10)16-11(2)17(25)23-19(26)24(16)3/h4-9,20H,1-3H3,(H2,21,22)(H,23,25,26)/b20-9+.
What are the key properties of 6-[4-[(4-amino-3-methanimidoyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione?
6-[4-[(4-amino-3-methanimidoyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 365.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-amino-3-methanimidoyl-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 123178732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).