5-(aminomethyl)-1-(2-methoxyethyl)pyrimidin-4-one

C8H13N3O2 — CID 115114225

IUPAC5-(aminomethyl)-1-(2-methoxyethyl)pyrimidin-4-one
SMILESCOCCn1cnc(=O)c(CN)c1
InChIInChI=1S/C8H13N3O2/c1-13-3-2-11-5-7(4-9)8(12)10-6-11/h5-6H,2-4,9H2,1H3
InChIKeyDRMLRUBKSSDNFP-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.65
Rot. Bonds4

About 5-(aminomethyl)-1-(2-methoxyethyl)pyrimidin-4-one

5-(aminomethyl)-1-(2-methoxyethyl)pyrimidin-4-one (PubChem CID 115114225) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(2-methoxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-(2-methoxyethyl)pyrimidin-4-one
PubChem CID115114225
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-(aminomethyl)-1-(2-methoxyethyl)pyrimidin-4-one
SMILESCOCCn1cnc(=O)c(CN)c1
InChIInChI=1S/C8H13N3O2/c1-13-3-2-11-5-7(4-9)8(12)10-6-11/h5-6H,2-4,9H2,1H3
InChIKeyDRMLRUBKSSDNFP-UHFFFAOYSA-N
XLogP-0.65
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(2-methoxyethyl)pyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-1-(2-methoxyethyl)pyrimidin-4-one (CID 115114225) is 5-(aminomethyl)-1-(2-methoxyethyl)pyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-1-(2-methoxyethyl)pyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-1-(2-methoxyethyl)pyrimidin-4-one is COCCn1cnc(=O)c(CN)c1.
What is the InChIKey of 5-(aminomethyl)-1-(2-methoxyethyl)pyrimidin-4-one?
The InChIKey is DRMLRUBKSSDNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-13-3-2-11-5-7(4-9)8(12)10-6-11/h5-6H,2-4,9H2,1H3.
What are the key properties of 5-(aminomethyl)-1-(2-methoxyethyl)pyrimidin-4-one?
5-(aminomethyl)-1-(2-methoxyethyl)pyrimidin-4-one has a molecular weight of 183.21 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-(2-methoxyethyl)pyrimidin-4-one is sourced from PubChem (CID 115114225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).