2-methyl-1-(6-propylpyrimidin-4-yl)oxybutan-2-amine

C12H21N3O — CID 64572779

IUPAC2-methyl-1-(6-propylpyrimidin-4-yl)oxybutan-2-amine
SMILESCCCc1cc(OCC(C)(N)CC)ncn1
InChIInChI=1S/C12H21N3O/c1-4-6-10-7-11(15-9-14-10)16-8-12(3,13)5-2/h7,9H,4-6,8,13H2,1-3H3
InChIKeyJKNCFHSQSOAFRX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.94
Rot. Bonds6

About 2-methyl-1-(6-propylpyrimidin-4-yl)oxybutan-2-amine

2-methyl-1-(6-propylpyrimidin-4-yl)oxybutan-2-amine (PubChem CID 64572779) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-1-(6-propylpyrimidin-4-yl)oxybutan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(6-propylpyrimidin-4-yl)oxybutan-2-amine
PubChem CID64572779
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-methyl-1-(6-propylpyrimidin-4-yl)oxybutan-2-amine
SMILESCCCc1cc(OCC(C)(N)CC)ncn1
InChIInChI=1S/C12H21N3O/c1-4-6-10-7-11(15-9-14-10)16-8-12(3,13)5-2/h7,9H,4-6,8,13H2,1-3H3
InChIKeyJKNCFHSQSOAFRX-UHFFFAOYSA-N
XLogP1.94
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-propylpyrimidin-4-yl)oxybutan-2-amine?
The IUPAC name of 2-methyl-1-(6-propylpyrimidin-4-yl)oxybutan-2-amine (CID 64572779) is 2-methyl-1-(6-propylpyrimidin-4-yl)oxybutan-2-amine.
What is the SMILES notation for 2-methyl-1-(6-propylpyrimidin-4-yl)oxybutan-2-amine?
The canonical SMILES for 2-methyl-1-(6-propylpyrimidin-4-yl)oxybutan-2-amine is CCCc1cc(OCC(C)(N)CC)ncn1.
What is the InChIKey of 2-methyl-1-(6-propylpyrimidin-4-yl)oxybutan-2-amine?
The InChIKey is JKNCFHSQSOAFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-6-10-7-11(15-9-14-10)16-8-12(3,13)5-2/h7,9H,4-6,8,13H2,1-3H3.
What are the key properties of 2-methyl-1-(6-propylpyrimidin-4-yl)oxybutan-2-amine?
2-methyl-1-(6-propylpyrimidin-4-yl)oxybutan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-propylpyrimidin-4-yl)oxybutan-2-amine is sourced from PubChem (CID 64572779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).