5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one

C14H11IN4O — CID 136970914

IUPAC5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCc1cc(Nc2nc[nH]c(=O)c2I)c2ccccc2n1
InChIInChI=1S/C14H11IN4O/c1-8-6-11(9-4-2-3-5-10(9)18-8)19-13-12(15)14(20)17-7-16-13/h2-7H,1H3,(H2,16,17,18,19,20)
InChIKeyTZTDWRFJYGKXPA-UHFFFAOYSA-N
MW378.17 g/mol
LogP2.97
Rot. Bonds2

About 5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one

5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136970914) has the molecular formula C14H11IN4O and a molecular weight of 378.17 g/mol. Its IUPAC name is 5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136970914
Molecular FormulaC14H11IN4O
Molecular Weight378.17 g/mol
Exact Mass378.00
IUPAC Name5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCc1cc(Nc2nc[nH]c(=O)c2I)c2ccccc2n1
InChIInChI=1S/C14H11IN4O/c1-8-6-11(9-4-2-3-5-10(9)18-8)19-13-12(15)14(20)17-7-16-13/h2-7H,1H3,(H2,16,17,18,19,20)
InChIKeyTZTDWRFJYGKXPA-UHFFFAOYSA-N
XLogP2.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.17
LogP ≤ 52.97
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-(quinolin-3-ylamino)-1H-pyrimidin-6-one
CID 136971241
4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one
CID 136971036
5-iodo-4-[2-(2-methoxyethyl)anilino]-1H-pyrimidin-6-one
CID 136981205
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one
CID 136971479
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
1-tert-butyl-2-(2-methylquinolin-4-yl)hydrazine
CID 66835446
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
N-(5-bromo-2-pyridinyl)-2-methylquinolin-4-amine
CID 61375482
N-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]phenyl]acetamide
CID 136970959
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
ethane;iodomethane;3H-quinazolin-4-one
CID 136650915

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one (CID 136970914) is 5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one is Cc1cc(Nc2nc[nH]c(=O)c2I)c2ccccc2n1.
What is the InChIKey of 5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is TZTDWRFJYGKXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN4O/c1-8-6-11(9-4-2-3-5-10(9)18-8)19-13-12(15)14(20)17-7-16-13/h2-7H,1H3,(H2,16,17,18,19,20).
What are the key properties of 5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 378.17 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136970914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).