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

C9H15N3O2 — CID 105450681

IUPAC2-(2-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(CC(C)N)[nH]c(=O)c1C
InChIInChI=1S/C9H15N3O2/c1-5(10)4-7-11-8(13)6(2)9(12-7)14-3/h5H,4,10H2,1-3H3,(H,11,12,13)
InChIKeyCXMJUIRTAVHZLQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.02
Rot. Bonds3

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

2-(2-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 105450681) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
PubChem CID105450681
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(2-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(CC(C)N)[nH]c(=O)c1C
InChIInChI=1S/C9H15N3O2/c1-5(10)4-7-11-8(13)6(2)9(12-7)14-3/h5H,4,10H2,1-3H3,(H,11,12,13)
InChIKeyCXMJUIRTAVHZLQ-UHFFFAOYSA-N
XLogP-0.02
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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
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-(2-aminopropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63554466
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
2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63555531
2-(2-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63555541
6-Hydroxy-5-methyl-2-(2-(methylamino)ethyl)pyrimidin-4(3h)-one
CID 63555706
2-(1-amino-2-methylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63555878

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one (CID 105450681) is 2-(2-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one is COc1nc(CC(C)N)[nH]c(=O)c1C.
What is the InChIKey of 2-(2-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is CXMJUIRTAVHZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5(10)4-7-11-8(13)6(2)9(12-7)14-3/h5H,4,10H2,1-3H3,(H,11,12,13).
What are the key properties of 2-(2-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
2-(2-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 105450681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).