5-iodo-4-[2-(2-methoxyethyl)anilino]-1H-pyrimidin-6-one

C13H14IN3O2 — CID 136981205

IUPAC5-iodo-4-[2-(2-methoxyethyl)anilino]-1H-pyrimidin-6-one
SMILESCOCCc1ccccc1Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C13H14IN3O2/c1-19-7-6-9-4-2-3-5-10(9)17-12-11(14)13(18)16-8-15-12/h2-5,8H,6-7H2,1H3,(H2,15,16,17,18)
InChIKeySXIFQUUZZRUCKL-UHFFFAOYSA-N
MW371.18 g/mol
LogP2.31
Rot. Bonds5

About 5-iodo-4-[2-(2-methoxyethyl)anilino]-1H-pyrimidin-6-one

5-iodo-4-[2-(2-methoxyethyl)anilino]-1H-pyrimidin-6-one (PubChem CID 136981205) has the molecular formula C13H14IN3O2 and a molecular weight of 371.18 g/mol. Its IUPAC name is 5-iodo-4-[2-(2-methoxyethyl)anilino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[2-(2-methoxyethyl)anilino]-1H-pyrimidin-6-one
PubChem CID136981205
Molecular FormulaC13H14IN3O2
Molecular Weight371.18 g/mol
Exact Mass371.01
IUPAC Name5-iodo-4-[2-(2-methoxyethyl)anilino]-1H-pyrimidin-6-one
SMILESCOCCc1ccccc1Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C13H14IN3O2/c1-19-7-6-9-4-2-3-5-10(9)17-12-11(14)13(18)16-8-15-12/h2-5,8H,6-7H2,1H3,(H2,15,16,17,18)
InChIKeySXIFQUUZZRUCKL-UHFFFAOYSA-N
XLogP2.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.18
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3-diamine
CID 102903407
5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one
CID 136970914
4-(2-chloro-5-methoxyanilino)-5-iodo-1H-pyrimidin-6-one
CID 136990136
3,5-dibromo-N-[2-(2-methoxyethyl)phenyl]pyridin-2-amine
CID 102907825
6-methoxy-4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,5-diamine
CID 102903424
4-(5-bromo-2-methylanilino)-5-iodo-1H-pyrimidin-6-one
CID 136970874
N-[2-(2-methoxyethyl)phenyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 102905003
4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,6-diamine
CID 102908724
4-N-[2-(2-methoxyethyl)phenyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 102908789
6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine
CID 102907328
N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 102907600
5-amino-4-(2-methoxyanilino)-1H-pyrimidin-6-one
CID 135568342

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[2-(2-methoxyethyl)anilino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[2-(2-methoxyethyl)anilino]-1H-pyrimidin-6-one (CID 136981205) is 5-iodo-4-[2-(2-methoxyethyl)anilino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[2-(2-methoxyethyl)anilino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[2-(2-methoxyethyl)anilino]-1H-pyrimidin-6-one is COCCc1ccccc1Nc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[2-(2-methoxyethyl)anilino]-1H-pyrimidin-6-one?
The InChIKey is SXIFQUUZZRUCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O2/c1-19-7-6-9-4-2-3-5-10(9)17-12-11(14)13(18)16-8-15-12/h2-5,8H,6-7H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-iodo-4-[2-(2-methoxyethyl)anilino]-1H-pyrimidin-6-one?
5-iodo-4-[2-(2-methoxyethyl)anilino]-1H-pyrimidin-6-one has a molecular weight of 371.18 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[2-(2-methoxyethyl)anilino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136981205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).