1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-amine

C9H15N3O — CID 66324691

IUPAC1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-amine
SMILESCOc1ncnc(CC(C)N)c1C
InChIInChI=1S/C9H15N3O/c1-6(10)4-8-7(2)9(13-3)12-5-11-8/h5-6H,4,10H2,1-3H3
InChIKeyYZBROCIPNDEQEG-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.68
Rot. Bonds3

About 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-amine

1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-amine (PubChem CID 66324691) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-amine
PubChem CID66324691
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-amine
SMILESCOc1ncnc(CC(C)N)c1C
InChIInChI=1S/C9H15N3O/c1-6(10)4-8-7(2)9(13-3)12-5-11-8/h5-6H,4,10H2,1-3H3
InChIKeyYZBROCIPNDEQEG-UHFFFAOYSA-N
XLogP0.68
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-amine?
The IUPAC name of 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-amine (CID 66324691) is 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-amine.
What is the SMILES notation for 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-amine?
The canonical SMILES for 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-amine is COc1ncnc(CC(C)N)c1C.
What is the InChIKey of 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-amine?
The InChIKey is YZBROCIPNDEQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(10)4-8-7(2)9(13-3)12-5-11-8/h5-6H,4,10H2,1-3H3.
What are the key properties of 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-amine?
1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-amine has a molecular weight of 181.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-5-methylpyrimidin-4-yl)propan-2-amine is sourced from PubChem (CID 66324691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).