2-methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one

C11H17N3O2 — CID 79374762

IUPAC2-methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one
SMILESC=CCNCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C11H17N3O2/c1-4-5-12-6-7-14-10(15)8-9(2)13-11(14)16-3/h4,8,12H,1,5-7H2,2-3H3
InChIKeyMSNFXIUBXDOFPT-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.34
Rot. Bonds6

About 2-methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one

2-methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one (PubChem CID 79374762) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one
PubChem CID79374762
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one
SMILESC=CCNCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C11H17N3O2/c1-4-5-12-6-7-14-10(15)8-9(2)13-11(14)16-3/h4,8,12H,1,5-7H2,2-3H3
InChIKeyMSNFXIUBXDOFPT-UHFFFAOYSA-N
XLogP0.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one (CID 79374762) is 2-methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one is C=CCNCCn1c(OC)nc(C)cc1=O.
What is the InChIKey of 2-methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one?
The InChIKey is MSNFXIUBXDOFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-5-12-6-7-14-10(15)8-9(2)13-11(14)16-3/h4,8,12H,1,5-7H2,2-3H3.
What are the key properties of 2-methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one?
2-methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one has a molecular weight of 223.28 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 79374762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).