5-methoxy-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one

C10H15N3O2 — CID 136679982

IUPAC5-methoxy-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NCC=C(C)C)nc[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-7(2)4-5-11-9-8(15-3)10(14)13-6-12-9/h4,6H,5H2,1-3H3,(H2,11,12,13,14)
InChIKeyBBJGCWQHEFBYKA-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.16
Rot. Bonds4

About 5-methoxy-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one

5-methoxy-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one (PubChem CID 136679982) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-methoxy-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one
PubChem CID136679982
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-methoxy-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one
SMILESCOc1c(NCC=C(C)C)nc[nH]c1=O
InChIInChI=1S/C10H15N3O2/c1-7(2)4-5-11-9-8(15-3)10(14)13-6-12-9/h4,6H,5H2,1-3H3,(H2,11,12,13,14)
InChIKeyBBJGCWQHEFBYKA-UHFFFAOYSA-N
XLogP1.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one (CID 136679982) is 5-methoxy-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one is COc1c(NCC=C(C)C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one?
The InChIKey is BBJGCWQHEFBYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)4-5-11-9-8(15-3)10(14)13-6-12-9/h4,6H,5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 5-methoxy-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one?
5-methoxy-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136679982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).