6-tert-butyl-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine

C13H21N3O — CID 62314178

IUPAC6-tert-butyl-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(C2CCOC2)n1
InChIInChI=1S/C13H21N3O/c1-13(2,3)10-7-11(14-4)16-12(15-10)9-5-6-17-8-9/h7,9H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyTWMKONGFHZEKLG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.32
Rot. Bonds2

About 6-tert-butyl-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine

6-tert-butyl-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 62314178) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-tert-butyl-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID62314178
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-tert-butyl-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(C2CCOC2)n1
InChIInChI=1S/C13H21N3O/c1-13(2,3)10-7-11(14-4)16-12(15-10)9-5-6-17-8-9/h7,9H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyTWMKONGFHZEKLG-UHFFFAOYSA-N
XLogP2.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine (CID 62314178) is 6-tert-butyl-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine is CNc1cc(C(C)(C)C)nc(C2CCOC2)n1.
What is the InChIKey of 6-tert-butyl-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is TWMKONGFHZEKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)10-7-11(14-4)16-12(15-10)9-5-6-17-8-9/h7,9H,5-6,8H2,1-4H3,(H,14,15,16).
What are the key properties of 6-tert-butyl-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine?
6-tert-butyl-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 62314178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).