4-(ethylamino)-1-methylpyrimidin-2-one

C7H11N3O — CID 592737

IUPAC4-(ethylamino)-1-methylpyrimidin-2-one
SMILESCCNc1ccn(C)c(=O)n1
InChIInChI=1S/C7H11N3O/c1-3-8-6-4-5-10(2)7(11)9-6/h4-5H,3H2,1-2H3,(H,8,9,11)
InChIKeyMUPIKFOUCPXYDX-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.21
Rot. Bonds2

About 4-(ethylamino)-1-methylpyrimidin-2-one

4-(ethylamino)-1-methylpyrimidin-2-one (PubChem CID 592737) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-(ethylamino)-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-(ethylamino)-1-methylpyrimidin-2-one
PubChem CID592737
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name4-(ethylamino)-1-methylpyrimidin-2-one
SMILESCCNc1ccn(C)c(=O)n1
InChIInChI=1S/C7H11N3O/c1-3-8-6-4-5-10(2)7(11)9-6/h4-5H,3H2,1-2H3,(H,8,9,11)
InChIKeyMUPIKFOUCPXYDX-UHFFFAOYSA-N
XLogP0.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-1-methylpyrimidin-2-one?
The IUPAC name of 4-(ethylamino)-1-methylpyrimidin-2-one (CID 592737) is 4-(ethylamino)-1-methylpyrimidin-2-one.
What is the SMILES notation for 4-(ethylamino)-1-methylpyrimidin-2-one?
The canonical SMILES for 4-(ethylamino)-1-methylpyrimidin-2-one is CCNc1ccn(C)c(=O)n1.
What is the InChIKey of 4-(ethylamino)-1-methylpyrimidin-2-one?
The InChIKey is MUPIKFOUCPXYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-8-6-4-5-10(2)7(11)9-6/h4-5H,3H2,1-2H3,(H,8,9,11).
What are the key properties of 4-(ethylamino)-1-methylpyrimidin-2-one?
4-(ethylamino)-1-methylpyrimidin-2-one has a molecular weight of 153.18 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-1-methylpyrimidin-2-one is sourced from PubChem (CID 592737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).