5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one

C13H9IN4O — CID 136971241

IUPAC5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Nc2cnc3ccccc3c2)c1I
InChIInChI=1S/C13H9IN4O/c14-11-12(16-7-17-13(11)19)18-9-5-8-3-1-2-4-10(8)15-6-9/h1-7H,(H2,16,17,18,19)
InChIKeyJJHJKVFXXOWYKX-UHFFFAOYSA-N
MW364.15 g/mol
LogP2.67
Rot. Bonds2

About 5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one

5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136971241) has the molecular formula C13H9IN4O and a molecular weight of 364.15 g/mol. Its IUPAC name is 5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136971241
Molecular FormulaC13H9IN4O
Molecular Weight364.15 g/mol
Exact Mass363.98
IUPAC Name5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(Nc2cnc3ccccc3c2)c1I
InChIInChI=1S/C13H9IN4O/c14-11-12(16-7-17-13(11)19)18-9-5-8-3-1-2-4-10(8)15-6-9/h1-7H,(H2,16,17,18,19)
InChIKeyJJHJKVFXXOWYKX-UHFFFAOYSA-N
XLogP2.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.15
LogP ≤ 52.67
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

5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one
CID 136970914
4-(3-fluoroanilino)-5-iodo-1H-pyrimidin-6-one
CID 136970589
4-[3-(chloromethyl)anilino]-5-iodo-1H-pyrimidin-6-one
CID 136971867
5-iodo-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one
CID 136971396
4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one
CID 136971479
2-N-(2-chlorophenyl)-6-N-quinolin-3-yl-7H-purine-2,6-diamine
CID 155809030
N-(5-chloro-3-fluoro-2-pyridinyl)quinolin-3-amine
CID 79728611
N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine
CID 139034507
3-ethyl-6-methyl-5-(quinolin-3-ylamino)-1H-pyridin-2-one
CID 11623288
4-[(1-ethylpyrazol-4-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136956113
N-quinolin-3-ylhydroxylamine
CID 54286324
6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine
CID 58774172

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one (CID 136971241) is 5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(Nc2cnc3ccccc3c2)c1I.
What is the InChIKey of 5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is JJHJKVFXXOWYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IN4O/c14-11-12(16-7-17-13(11)19)18-9-5-8-3-1-2-4-10(8)15-6-9/h1-7H,(H2,16,17,18,19).
What are the key properties of 5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one?
5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 364.15 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136971241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).