4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one

C13H15IN4O — CID 136971479

IUPAC4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one
SMILESCc1ccc(Nc2nc[nH]c(=O)c2I)cc1N(C)C
InChIInChI=1S/C13H15IN4O/c1-8-4-5-9(6-10(8)18(2)3)17-12-11(14)13(19)16-7-15-12/h4-7H,1-3H3,(H2,15,16,17,19)
InChIKeyXHIZWTPWRMUQSG-UHFFFAOYSA-N
MW370.19 g/mol
LogP2.49
Rot. Bonds3

About 4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one

4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136971479) has the molecular formula C13H15IN4O and a molecular weight of 370.19 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136971479
Molecular FormulaC13H15IN4O
Molecular Weight370.19 g/mol
Exact Mass370.03
IUPAC Name4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one
SMILESCc1ccc(Nc2nc[nH]c(=O)c2I)cc1N(C)C
InChIInChI=1S/C13H15IN4O/c1-8-4-5-9(6-10(8)18(2)3)17-12-11(14)13(19)16-7-15-12/h4-7H,1-3H3,(H2,15,16,17,19)
InChIKeyXHIZWTPWRMUQSG-UHFFFAOYSA-N
XLogP2.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 52.49
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

4-(4-fluoro-3-methylanilino)-5-iodo-1H-pyrimidin-6-one
CID 136971250
4-(5-bromo-2-methylanilino)-5-iodo-1H-pyrimidin-6-one
CID 136970874
N-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]phenyl]acetamide
CID 136970959
4-(3-chloro-4-methoxyanilino)-5-iodo-1H-pyrimidin-6-one
CID 136990076
4-(3-fluoroanilino)-5-iodo-1H-pyrimidin-6-one
CID 136970589
5-iodo-4-(thiophen-3-ylamino)-1H-pyrimidin-6-one
CID 136971396
5-iodo-4-(3,4,5-trifluoroanilino)-1H-pyrimidin-6-one
CID 136971247
4-[3-(chloromethyl)anilino]-5-iodo-1H-pyrimidin-6-one
CID 136971867
5-iodo-4-[(2-methylquinolin-4-yl)amino]-1H-pyrimidin-6-one
CID 136970914
5-iodo-4-(quinolin-3-ylamino)-1H-pyrimidin-6-one
CID 136971241
1-N-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115379769
4-(4-chloro-2-fluoroanilino)-5-iodo-1H-pyrimidin-6-one
CID 136971036

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one (CID 136971479) is 4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one is Cc1ccc(Nc2nc[nH]c(=O)c2I)cc1N(C)C.
What is the InChIKey of 4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is XHIZWTPWRMUQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN4O/c1-8-4-5-9(6-10(8)18(2)3)17-12-11(14)13(19)16-7-15-12/h4-7H,1-3H3,(H2,15,16,17,19).
What are the key properties of 4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one?
4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 370.19 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-4-methylanilino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136971479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).