4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one

C8H13N3O2 — CID 135978360

IUPAC4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
SMILESCOCCc1nc(CN)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-13-3-2-7-10-6(5-9)4-8(12)11-7/h4H,2-3,5,9H2,1H3,(H,10,11,12)
InChIKeyKLPYGRQCGJVCGY-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.58
Rot. Bonds4

About 4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one

4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one (PubChem CID 135978360) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
PubChem CID135978360
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
SMILESCOCCc1nc(CN)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-13-3-2-7-10-6(5-9)4-8(12)11-7/h4H,2-3,5,9H2,1H3,(H,10,11,12)
InChIKeyKLPYGRQCGJVCGY-UHFFFAOYSA-N
XLogP-0.58
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 136678766
2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one
CID 136745753
2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one
CID 136842569
4-butyl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136805677
[2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine
CID 79004507
4-(aminomethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135934367
4-(aminomethyl)-2-[(4-chlorophenyl)methyl]-1H-pyrimidin-6-one
CID 135978286
4-(aminomethyl)-2-[(2-chlorophenyl)methyl]-1H-pyrimidin-6-one
CID 135978376
4-tert-butyl-2-(2-ethoxyethyl)-1H-pyrimidin-6-one
CID 136745752
4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973719
4-(aminomethyl)-6-(methoxymethyl)-1H-pyrimidin-2-one
CID 82412906
4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
CID 146081610

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one (CID 135978360) is 4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one is COCCc1nc(CN)cc(=O)[nH]1.
What is the InChIKey of 4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one?
The InChIKey is KLPYGRQCGJVCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-13-3-2-7-10-6(5-9)4-8(12)11-7/h4H,2-3,5,9H2,1H3,(H,10,11,12).
What are the key properties of 4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one?
4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135978360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).