6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine

C12H19N3O2 — CID 82457787

IUPAC6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine
SMILESCC(C)COc1cc(N)nc(C2CCCO2)n1
InChIInChI=1S/C12H19N3O2/c1-8(2)7-17-11-6-10(13)14-12(15-11)9-4-3-5-16-9/h6,8-9H,3-5,7H2,1-2H3,(H2,13,14,15)
InChIKeyHGJVRZBQGPXALV-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.95
Rot. Bonds4

About 6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine

6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine (PubChem CID 82457787) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine
PubChem CID82457787
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine
SMILESCC(C)COc1cc(N)nc(C2CCCO2)n1
InChIInChI=1S/C12H19N3O2/c1-8(2)7-17-11-6-10(13)14-12(15-11)9-4-3-5-16-9/h6,8-9H,3-5,7H2,1-2H3,(H2,13,14,15)
InChIKeyHGJVRZBQGPXALV-UHFFFAOYSA-N
XLogP1.95
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine
CID 82457771
6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457803
6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine
CID 82457782
4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457926
N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine
CID 82457767
N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457723
6-butoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82457938
4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine
CID 82457921
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 82457766
6-(oxolan-2-ylmethoxy)-2-propylpyrimidin-4-amine
CID 80950568
2-(methoxymethyl)-6-(2-methylpropoxy)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 82456711
N-[[6-methyl-2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65328783

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine (CID 82457787) is 6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine is CC(C)COc1cc(N)nc(C2CCCO2)n1.
What is the InChIKey of 6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine?
The InChIKey is HGJVRZBQGPXALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)7-17-11-6-10(13)14-12(15-11)9-4-3-5-16-9/h6,8-9H,3-5,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine?
6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine has a molecular weight of 237.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 82457787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).