6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine

C13H21N3O — CID 62191028

IUPAC6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCC(C)(C)c1cc(N)nc(CC2CCCO2)n1
InChIInChI=1S/C13H21N3O/c1-13(2,3)10-8-11(14)16-12(15-10)7-9-5-4-6-17-9/h8-9H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyUVAAJWOCJZOYRN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.08
Rot. Bonds2

About 6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine

6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 62191028) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
PubChem CID62191028
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCC(C)(C)c1cc(N)nc(CC2CCCO2)n1
InChIInChI=1S/C13H21N3O/c1-13(2,3)10-8-11(14)16-12(15-10)7-9-5-4-6-17-9/h8-9H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyUVAAJWOCJZOYRN-UHFFFAOYSA-N
XLogP2.08
TPSA61.03 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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-6-chloro-2-(oxan-2-ylmethyl)pyrimidine
CID 113391207
6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681350
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61265926
2-(oxolan-2-ylmethyl)pyrimidin-5-amine
CID 43142229
2-tert-butyl-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80962139
6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
CID 62693647
6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 55188916
2,2-dimethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43470381
2-methyl-5-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43103130
6-tert-butyl-N-ethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66300985
6-(oxolan-2-ylmethoxy)-2-propylpyrimidin-4-amine
CID 80950568
5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 65159319

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine (CID 62191028) is 6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine is CC(C)(C)c1cc(N)nc(CC2CCCO2)n1.
What is the InChIKey of 6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is UVAAJWOCJZOYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)10-8-11(14)16-12(15-10)7-9-5-4-6-17-9/h8-9H,4-7H2,1-3H3,(H2,14,15,16).
What are the key properties of 6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine?
6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 62191028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).