1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine

C9H15N3O — CID 62745395

IUPAC1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine
SMILESCOCc1nccc(CC(C)N)n1
InChIInChI=1S/C9H15N3O/c1-7(10)5-8-3-4-11-9(12-8)6-13-2/h3-4,7H,5-6,10H2,1-2H3
InChIKeyAOEQQEURODYBIJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.51
Rot. Bonds4

About 1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine

1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine (PubChem CID 62745395) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine
PubChem CID62745395
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine
SMILESCOCc1nccc(CC(C)N)n1
InChIInChI=1S/C9H15N3O/c1-7(10)5-8-3-4-11-9(12-8)6-13-2/h3-4,7H,5-6,10H2,1-2H3
InChIKeyAOEQQEURODYBIJ-UHFFFAOYSA-N
XLogP0.51
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine (CID 62745395) is 1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine is COCc1nccc(CC(C)N)n1.
What is the InChIKey of 1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine?
The InChIKey is AOEQQEURODYBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(10)5-8-3-4-11-9(12-8)6-13-2/h3-4,7H,5-6,10H2,1-2H3.
What are the key properties of 1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine?
1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine has a molecular weight of 181.24 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)pyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 62745395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).