5-iodo-2-(6-methoxypyrimidin-4-yl)-4-propyl-1H-pyrimidin-6-one

C12H13IN4O2 — CID 136784693

IUPAC5-iodo-2-(6-methoxypyrimidin-4-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2cc(OC)ncn2)[nH]c(=O)c1I
InChIInChI=1S/C12H13IN4O2/c1-3-4-7-10(13)12(18)17-11(16-7)8-5-9(19-2)15-6-14-8/h5-6H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyGQUMZGPUKVMEJI-UHFFFAOYSA-N
MW372.17 g/mol
LogP1.79
Rot. Bonds4

About 5-iodo-2-(6-methoxypyrimidin-4-yl)-4-propyl-1H-pyrimidin-6-one

5-iodo-2-(6-methoxypyrimidin-4-yl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 136784693) has the molecular formula C12H13IN4O2 and a molecular weight of 372.17 g/mol. Its IUPAC name is 5-iodo-2-(6-methoxypyrimidin-4-yl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-(6-methoxypyrimidin-4-yl)-4-propyl-1H-pyrimidin-6-one
PubChem CID136784693
Molecular FormulaC12H13IN4O2
Molecular Weight372.17 g/mol
Exact Mass372.01
IUPAC Name5-iodo-2-(6-methoxypyrimidin-4-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(-c2cc(OC)ncn2)[nH]c(=O)c1I
InChIInChI=1S/C12H13IN4O2/c1-3-4-7-10(13)12(18)17-11(16-7)8-5-9(19-2)15-6-14-8/h5-6H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyGQUMZGPUKVMEJI-UHFFFAOYSA-N
XLogP1.79
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.17
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-ethyl-2-(6-methoxypyrimidin-4-yl)-1H-pyrimidin-6-one
CID 136784674
2-(6-methoxypyrimidin-4-yl)-5-propyl-1H-imidazol-4-ol
CID 136965589
2-(6-methoxypyrimidin-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136784742
4-ethyl-5-iodo-2-(6-methoxy-2-pyridinyl)-1H-pyrimidin-6-one
CID 136831511
5-iodo-2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one
CID 137005930
4-ethyl-5-iodo-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
CID 136790340
2-(3,4-dihydroxyphenyl)-5-iodo-4-propyl-1H-pyrimidin-6-one
CID 136889112
2-(3-chloro-2-pyridinyl)-5-iodo-4-propyl-1H-pyrimidin-6-one
CID 136847774
2-(3-bromo-4-methylphenyl)-5-iodo-4-propyl-1H-pyrimidin-6-one
CID 136701869
5-iodo-2-(3-methylfuran-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136741726
2-(6-methoxypyrimidin-4-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477289
5-iodo-2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136930640

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(6-methoxypyrimidin-4-yl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-(6-methoxypyrimidin-4-yl)-4-propyl-1H-pyrimidin-6-one (CID 136784693) is 5-iodo-2-(6-methoxypyrimidin-4-yl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-(6-methoxypyrimidin-4-yl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-(6-methoxypyrimidin-4-yl)-4-propyl-1H-pyrimidin-6-one is CCCc1nc(-c2cc(OC)ncn2)[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-2-(6-methoxypyrimidin-4-yl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is GQUMZGPUKVMEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN4O2/c1-3-4-7-10(13)12(18)17-11(16-7)8-5-9(19-2)15-6-14-8/h5-6H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of 5-iodo-2-(6-methoxypyrimidin-4-yl)-4-propyl-1H-pyrimidin-6-one?
5-iodo-2-(6-methoxypyrimidin-4-yl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 372.17 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(6-methoxypyrimidin-4-yl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136784693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).