4-(ethylaminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one

C11H19N3O2 — CID 136852165

IUPAC4-(ethylaminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one
SMILESCCNCc1cc(=O)[nH]c(CC(C)OC)n1
InChIInChI=1S/C11H19N3O2/c1-4-12-7-9-6-11(15)14-10(13-9)5-8(2)16-3/h6,8,12H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyKGJQEKVBUZDLSK-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.46
Rot. Bonds6

About 4-(ethylaminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one

4-(ethylaminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one (PubChem CID 136852165) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one
PubChem CID136852165
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(ethylaminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one
SMILESCCNCc1cc(=O)[nH]c(CC(C)OC)n1
InChIInChI=1S/C11H19N3O2/c1-4-12-7-9-6-11(15)14-10(13-9)5-8(2)16-3/h6,8,12H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyKGJQEKVBUZDLSK-UHFFFAOYSA-N
XLogP0.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(ethylaminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one (CID 136852165) is 4-(ethylaminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(ethylaminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(ethylaminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one is CCNCc1cc(=O)[nH]c(CC(C)OC)n1.
What is the InChIKey of 4-(ethylaminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
The InChIKey is KGJQEKVBUZDLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-12-7-9-6-11(15)14-10(13-9)5-8(2)16-3/h6,8,12H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of 4-(ethylaminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
4-(ethylaminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136852165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).