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

C9H13N3O — CID 62315087

IUPAC6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine
SMILESCc1cc(N)nc(C2CCOC2)n1
InChIInChI=1S/C9H13N3O/c1-6-4-8(10)12-9(11-6)7-2-3-13-5-7/h4,7H,2-3,5H2,1H3,(H2,10,11,12)
InChIKeyZWBLTKCUHLLGSW-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.87
Rot. Bonds1

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

6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 62315087) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID62315087
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine
SMILESCc1cc(N)nc(C2CCOC2)n1
InChIInChI=1S/C9H13N3O/c1-6-4-8(10)12-9(11-6)7-2-3-13-5-7/h4,7H,2-3,5H2,1H3,(H2,10,11,12)
InChIKeyZWBLTKCUHLLGSW-UHFFFAOYSA-N
XLogP0.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine (CID 62315087) is 6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine is Cc1cc(N)nc(C2CCOC2)n1.
What is the InChIKey of 6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is ZWBLTKCUHLLGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-4-8(10)12-9(11-6)7-2-3-13-5-7/h4,7H,2-3,5H2,1H3,(H2,10,11,12).
What are the key properties of 6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine?
6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 179.22 g/mol, XLogP of 0.87, 1 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-yl)pyrimidin-4-amine is sourced from PubChem (CID 62315087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).