4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one

C11H17N3O2 — CID 136764982

IUPAC4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCOCC2CC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-13-10(6-11(15)14-8)12-4-5-16-7-9-2-3-9/h6,9H,2-5,7H2,1H3,(H2,12,13,14,15)
InChIKeyFSXDRKNQGPYICU-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.92
Rot. Bonds6

About 4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one

4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136764982) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136764982
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCOCC2CC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-13-10(6-11(15)14-8)12-4-5-16-7-9-2-3-9/h6,9H,2-5,7H2,1H3,(H2,12,13,14,15)
InChIKeyFSXDRKNQGPYICU-UHFFFAOYSA-N
XLogP0.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one (CID 136764982) is 4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCCOCC2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is FSXDRKNQGPYICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-13-10(6-11(15)14-8)12-4-5-16-7-9-2-3-9/h6,9H,2-5,7H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one?
4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136764982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).