5-amino-1-(3-methoxypropyl)pyrimidin-4-one

C8H13N3O2 — CID 115114221

IUPAC5-amino-1-(3-methoxypropyl)pyrimidin-4-one
SMILESCOCCCn1cnc(=O)c(N)c1
InChIInChI=1S/C8H13N3O2/c1-13-4-2-3-11-5-7(9)8(12)10-6-11/h5-6H,2-4,9H2,1H3
InChIKeyMTXLPYZKBHGIFO-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.14
Rot. Bonds4

About 5-amino-1-(3-methoxypropyl)pyrimidin-4-one

5-amino-1-(3-methoxypropyl)pyrimidin-4-one (PubChem CID 115114221) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-amino-1-(3-methoxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-(3-methoxypropyl)pyrimidin-4-one
PubChem CID115114221
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-amino-1-(3-methoxypropyl)pyrimidin-4-one
SMILESCOCCCn1cnc(=O)c(N)c1
InChIInChI=1S/C8H13N3O2/c1-13-4-2-3-11-5-7(9)8(12)10-6-11/h5-6H,2-4,9H2,1H3
InChIKeyMTXLPYZKBHGIFO-UHFFFAOYSA-N
XLogP-0.14
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 ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Amino-2-methoxy-3-methylpyrimidin-4-one
CID 141540259
5-Amino-2-ethoxy-3-methylpyrimidin-4-one
CID 141540260
5-Amino-1-(3-hydroxypropyl)pyrimidin-4-one
CID 115114220
5-Amino-1-(2-methoxyethyl)pyrimidin-4-one
CID 115114227
5-Amino-1-(oxolan-3-yl)pyrimidin-4-one
CID 115114234
5-Amino-1-(oxan-4-yl)pyrimidin-4-one
CID 115114246
5-Amino-1-(oxolan-2-yl)pyrimidin-4-one
CID 115114294
5-Amino-1-ethylpyrimidin-4-one
CID 115114450
5-Amino-1-propylpyrimidin-4-one
CID 115114451
5-Amino-1-(2-methylpropyl)pyrimidin-4-one
CID 115114452
5-Amino-1-(2,2-dimethylpropyl)pyrimidin-4-one
CID 115114453
5-Amino-1-propan-2-ylpyrimidin-4-one
CID 115114463

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-methoxypropyl)pyrimidin-4-one?
The IUPAC name of 5-amino-1-(3-methoxypropyl)pyrimidin-4-one (CID 115114221) is 5-amino-1-(3-methoxypropyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-(3-methoxypropyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-1-(3-methoxypropyl)pyrimidin-4-one is COCCCn1cnc(=O)c(N)c1.
What is the InChIKey of 5-amino-1-(3-methoxypropyl)pyrimidin-4-one?
The InChIKey is MTXLPYZKBHGIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-13-4-2-3-11-5-7(9)8(12)10-6-11/h5-6H,2-4,9H2,1H3.
What are the key properties of 5-amino-1-(3-methoxypropyl)pyrimidin-4-one?
5-amino-1-(3-methoxypropyl)pyrimidin-4-one has a molecular weight of 183.21 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-methoxypropyl)pyrimidin-4-one is sourced from PubChem (CID 115114221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).