2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine

C13H21N3O — CID 65329558

IUPAC2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine
SMILESCc1nc(C2CCOC2)nc(C)c1C(C)CN
InChIInChI=1S/C13H21N3O/c1-8(6-14)12-9(2)15-13(16-10(12)3)11-4-5-17-7-11/h8,11H,4-7,14H2,1-3H3
InChIKeyAUFAWLRJWHVSFH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds3

About 2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine

2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine (PubChem CID 65329558) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine
PubChem CID65329558
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine
SMILESCc1nc(C2CCOC2)nc(C)c1C(C)CN
InChIInChI=1S/C13H21N3O/c1-8(6-14)12-9(2)15-13(16-10(12)3)11-4-5-17-7-11/h8,11H,4-7,14H2,1-3H3
InChIKeyAUFAWLRJWHVSFH-UHFFFAOYSA-N
XLogP1.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine?
The IUPAC name of 2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine (CID 65329558) is 2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine is Cc1nc(C2CCOC2)nc(C)c1C(C)CN.
What is the InChIKey of 2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine?
The InChIKey is AUFAWLRJWHVSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(6-14)12-9(2)15-13(16-10(12)3)11-4-5-17-7-11/h8,11H,4-7,14H2,1-3H3.
What are the key properties of 2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine?
2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 65329558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).