2-(ethoxymethyl)-4-(ethylamino)-1H-pyrimidin-6-one

C9H15N3O2 — CID 136818888

IUPAC2-(ethoxymethyl)-4-(ethylamino)-1H-pyrimidin-6-one
SMILESCCNc1cc(=O)[nH]c(COCC)n1
InChIInChI=1S/C9H15N3O2/c1-3-10-7-5-9(13)12-8(11-7)6-14-4-2/h5H,3-4,6H2,1-2H3,(H2,10,11,12,13)
InChIKeyFFUKCSRCICCKPX-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.74
Rot. Bonds5

About 2-(ethoxymethyl)-4-(ethylamino)-1H-pyrimidin-6-one

2-(ethoxymethyl)-4-(ethylamino)-1H-pyrimidin-6-one (PubChem CID 136818888) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-(ethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-(ethylamino)-1H-pyrimidin-6-one
PubChem CID136818888
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(ethoxymethyl)-4-(ethylamino)-1H-pyrimidin-6-one
SMILESCCNc1cc(=O)[nH]c(COCC)n1
InChIInChI=1S/C9H15N3O2/c1-3-10-7-5-9(13)12-8(11-7)6-14-4-2/h5H,3-4,6H2,1-2H3,(H2,10,11,12,13)
InChIKeyFFUKCSRCICCKPX-UHFFFAOYSA-N
XLogP0.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-(ethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethoxymethyl)-4-(ethylamino)-1H-pyrimidin-6-one (CID 136818888) is 2-(ethoxymethyl)-4-(ethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethoxymethyl)-4-(ethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethoxymethyl)-4-(ethylamino)-1H-pyrimidin-6-one is CCNc1cc(=O)[nH]c(COCC)n1.
What is the InChIKey of 2-(ethoxymethyl)-4-(ethylamino)-1H-pyrimidin-6-one?
The InChIKey is FFUKCSRCICCKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-10-7-5-9(13)12-8(11-7)6-14-4-2/h5H,3-4,6H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 2-(ethoxymethyl)-4-(ethylamino)-1H-pyrimidin-6-one?
2-(ethoxymethyl)-4-(ethylamino)-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-(ethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136818888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).