6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine

C13H21N3O — CID 113362255

IUPAC6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(CC2CCOC2)nc(N)c1C(C)C
InChIInChI=1S/C13H21N3O/c1-8(2)12-9(3)15-11(16-13(12)14)6-10-4-5-17-7-10/h8,10H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyOKZMMMIYPMAKCR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.07
Rot. Bonds3

About 6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine

6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 113362255) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID113362255
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(CC2CCOC2)nc(N)c1C(C)C
InChIInChI=1S/C13H21N3O/c1-8(2)12-9(3)15-11(16-13(12)14)6-10-4-5-17-7-10/h8,10H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyOKZMMMIYPMAKCR-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 103987858
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 103988030
methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate
CID 116647653
5-bromo-6-tert-butyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103987845
4-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136886266
2-[4,6-dimethyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]-N-methylethanamine
CID 103988011
(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol
CID 103431590
2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 65351633
N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 103987982
6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103987764
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077373
[6-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]hydrazine
CID 103987906

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine (CID 113362255) is 6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine is Cc1nc(CC2CCOC2)nc(N)c1C(C)C.
What is the InChIKey of 6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is OKZMMMIYPMAKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8(2)12-9(3)15-11(16-13(12)14)6-10-4-5-17-7-10/h8,10H,4-7H2,1-3H3,(H2,14,15,16).
What are the key properties of 6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine?
6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 113362255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).