5-iodo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one

C10H16IN3O2 — CID 136956799

IUPAC5-iodo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(Nc1nc[nH]c(=O)c1I)C(C)C
InChIInChI=1S/C10H16IN3O2/c1-6(2)7(4-16-3)14-9-8(11)10(15)13-5-12-9/h5-7H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyDHYUZBXUOCHLFI-UHFFFAOYSA-N
MW337.16 g/mol
LogP1.46
Rot. Bonds5

About 5-iodo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one

5-iodo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136956799) has the molecular formula C10H16IN3O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is 5-iodo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136956799
Molecular FormulaC10H16IN3O2
Molecular Weight337.16 g/mol
Exact Mass337.03
IUPAC Name5-iodo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOCC(Nc1nc[nH]c(=O)c1I)C(C)C
InChIInChI=1S/C10H16IN3O2/c1-6(2)7(4-16-3)14-9-8(11)10(15)13-5-12-9/h5-7H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyDHYUZBXUOCHLFI-UHFFFAOYSA-N
XLogP1.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136956799) is 5-iodo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is COCC(Nc1nc[nH]c(=O)c1I)C(C)C.
What is the InChIKey of 5-iodo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is DHYUZBXUOCHLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O2/c1-6(2)7(4-16-3)14-9-8(11)10(15)13-5-12-9/h5-7H,4H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-iodo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 337.16 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).