1-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]butan-2-amine

C13H21N3O — CID 65328389

IUPAC1-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1cc(C)nc(C2CCCO2)n1
InChIInChI=1S/C13H21N3O/c1-3-10(14)8-11-7-9(2)15-13(16-11)12-5-4-6-17-12/h7,10,12H,3-6,8,14H2,1-2H3
InChIKeyRLBZWKKBUVPTLQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.92
Rot. Bonds4

About 1-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]butan-2-amine

1-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]butan-2-amine (PubChem CID 65328389) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]butan-2-amine
PubChem CID65328389
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1cc(C)nc(C2CCCO2)n1
InChIInChI=1S/C13H21N3O/c1-3-10(14)8-11-7-9(2)15-13(16-11)12-5-4-6-17-12/h7,10,12H,3-6,8,14H2,1-2H3
InChIKeyRLBZWKKBUVPTLQ-UHFFFAOYSA-N
XLogP1.92
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]butan-2-amine?
The IUPAC name of 1-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]butan-2-amine (CID 65328389) is 1-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]butan-2-amine.
What is the SMILES notation for 1-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]butan-2-amine?
The canonical SMILES for 1-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]butan-2-amine is CCC(N)Cc1cc(C)nc(C2CCCO2)n1.
What is the InChIKey of 1-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]butan-2-amine?
The InChIKey is RLBZWKKBUVPTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-10(14)8-11-7-9(2)15-13(16-11)12-5-4-6-17-12/h7,10,12H,3-6,8,14H2,1-2H3.
What are the key properties of 1-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]butan-2-amine?
1-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]butan-2-amine has a molecular weight of 235.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]butan-2-amine is sourced from PubChem (CID 65328389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).