3-(6-methoxy-5-methylpyrimidin-4-yl)pentan-2-amine

C11H19N3O — CID 66326541

IUPAC3-(6-methoxy-5-methylpyrimidin-4-yl)pentan-2-amine
SMILESCCC(c1ncnc(OC)c1C)C(C)N
InChIInChI=1S/C11H19N3O/c1-5-9(8(3)12)10-7(2)11(15-4)14-6-13-10/h6,8-9H,5,12H2,1-4H3
InChIKeyNQZIPSAHGOZDFW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.63
Rot. Bonds4

About 3-(6-methoxy-5-methylpyrimidin-4-yl)pentan-2-amine

3-(6-methoxy-5-methylpyrimidin-4-yl)pentan-2-amine (PubChem CID 66326541) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(6-methoxy-5-methylpyrimidin-4-yl)pentan-2-amine.

Molecular Properties

Compound Name3-(6-methoxy-5-methylpyrimidin-4-yl)pentan-2-amine
PubChem CID66326541
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(6-methoxy-5-methylpyrimidin-4-yl)pentan-2-amine
SMILESCCC(c1ncnc(OC)c1C)C(C)N
InChIInChI=1S/C11H19N3O/c1-5-9(8(3)12)10-7(2)11(15-4)14-6-13-10/h6,8-9H,5,12H2,1-4H3
InChIKeyNQZIPSAHGOZDFW-UHFFFAOYSA-N
XLogP1.63
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-5-methylpyrimidin-4-yl)pentan-2-amine?
The IUPAC name of 3-(6-methoxy-5-methylpyrimidin-4-yl)pentan-2-amine (CID 66326541) is 3-(6-methoxy-5-methylpyrimidin-4-yl)pentan-2-amine.
What is the SMILES notation for 3-(6-methoxy-5-methylpyrimidin-4-yl)pentan-2-amine?
The canonical SMILES for 3-(6-methoxy-5-methylpyrimidin-4-yl)pentan-2-amine is CCC(c1ncnc(OC)c1C)C(C)N.
What is the InChIKey of 3-(6-methoxy-5-methylpyrimidin-4-yl)pentan-2-amine?
The InChIKey is NQZIPSAHGOZDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-9(8(3)12)10-7(2)11(15-4)14-6-13-10/h6,8-9H,5,12H2,1-4H3.
What are the key properties of 3-(6-methoxy-5-methylpyrimidin-4-yl)pentan-2-amine?
3-(6-methoxy-5-methylpyrimidin-4-yl)pentan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-5-methylpyrimidin-4-yl)pentan-2-amine is sourced from PubChem (CID 66326541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).