2-(3-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one

C9H15N3O2 — CID 105450687

IUPAC2-(3-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(CCCN)[nH]c(=O)c1C
InChIInChI=1S/C9H15N3O2/c1-6-8(13)11-7(4-3-5-10)12-9(6)14-2/h3-5,10H2,1-2H3,(H,11,12,13)
InChIKeyMSWVJTVJYPJEJC-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.02
Rot. Bonds4

About 2-(3-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one

2-(3-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 105450687) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(3-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
PubChem CID105450687
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(3-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(CCCN)[nH]c(=O)c1C
InChIInChI=1S/C9H15N3O2/c1-6-8(13)11-7(4-3-5-10)12-9(6)14-2/h3-5,10H2,1-2H3,(H,11,12,13)
InChIKeyMSWVJTVJYPJEJC-UHFFFAOYSA-N
XLogP-0.02
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-methoxy-5-methyl-1H-pyrimidin-6-one
CID 12945283
4-hydroxy-5-methyl-2-propyl-1H-pyrimidin-6-one
CID 46734448
2-(2-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63553917
2-(2-Aminoethyl)-6-hydroxy-5-methyl-3,4-dihydropyrimidin-4-one
CID 63554281
2-(3-aminopropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63554284
2-(3-aminopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63554639
2-(2-aminopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63554646
2-(1-Aminopropyl)-6-hydroxy-5-methylpyrimidin-4(3H)-one
CID 63555002
2-(1-aminopropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63555179
6-Hydroxy-5-methyl-2-(2-(methylamino)ethyl)pyrimidin-4(3h)-one
CID 63555706
4-hydroxy-2-(2-methoxyethyl)-5-methyl-1H-pyrimidin-6-one
CID 63611760
4-hydroxy-2-(3-methoxypropyl)-5-methyl-1H-pyrimidin-6-one
CID 65094966

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one (CID 105450687) is 2-(3-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one is COc1nc(CCCN)[nH]c(=O)c1C.
What is the InChIKey of 2-(3-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is MSWVJTVJYPJEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-8(13)11-7(4-3-5-10)12-9(6)14-2/h3-5,10H2,1-2H3,(H,11,12,13).
What are the key properties of 2-(3-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
2-(3-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 105450687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).