4-(oxolan-3-ylmethoxy)pyrimidin-2-amine

C9H13N3O2 — CID 68633908

IUPAC4-(oxolan-3-ylmethoxy)pyrimidin-2-amine
SMILESNc1nccc(OCC2CCOC2)n1
InChIInChI=1S/C9H13N3O2/c10-9-11-3-1-8(12-9)14-6-7-2-4-13-5-7/h1,3,7H,2,4-6H2,(H2,10,11,12)
InChIKeyFLCMVNLVYWWIOH-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.47
Rot. Bonds3

About 4-(oxolan-3-ylmethoxy)pyrimidin-2-amine

4-(oxolan-3-ylmethoxy)pyrimidin-2-amine (PubChem CID 68633908) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-(oxolan-3-ylmethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(oxolan-3-ylmethoxy)pyrimidin-2-amine
PubChem CID68633908
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name4-(oxolan-3-ylmethoxy)pyrimidin-2-amine
SMILESNc1nccc(OCC2CCOC2)n1
InChIInChI=1S/C9H13N3O2/c10-9-11-3-1-8(12-9)14-6-7-2-4-13-5-7/h1,3,7H,2,4-6H2,(H2,10,11,12)
InChIKeyFLCMVNLVYWWIOH-UHFFFAOYSA-N
XLogP0.47
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-ylmethoxy)pyrimidin-2-amine?
The IUPAC name of 4-(oxolan-3-ylmethoxy)pyrimidin-2-amine (CID 68633908) is 4-(oxolan-3-ylmethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-(oxolan-3-ylmethoxy)pyrimidin-2-amine?
The canonical SMILES for 4-(oxolan-3-ylmethoxy)pyrimidin-2-amine is Nc1nccc(OCC2CCOC2)n1.
What is the InChIKey of 4-(oxolan-3-ylmethoxy)pyrimidin-2-amine?
The InChIKey is FLCMVNLVYWWIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-9-11-3-1-8(12-9)14-6-7-2-4-13-5-7/h1,3,7H,2,4-6H2,(H2,10,11,12).
What are the key properties of 4-(oxolan-3-ylmethoxy)pyrimidin-2-amine?
4-(oxolan-3-ylmethoxy)pyrimidin-2-amine has a molecular weight of 195.22 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-ylmethoxy)pyrimidin-2-amine is sourced from PubChem (CID 68633908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).