4-propoxy-6-(pyrrolidin-3-ylmethoxy)pyrimidine

C12H19N3O2 — CID 66332799

IUPAC4-propoxy-6-(pyrrolidin-3-ylmethoxy)pyrimidine
SMILESCCCOc1cc(OCC2CCNC2)ncn1
InChIInChI=1S/C12H19N3O2/c1-2-5-16-11-6-12(15-9-14-11)17-8-10-3-4-13-7-10/h6,9-10,13H,2-5,7-8H2,1H3
InChIKeySLHHSJDRYJNRFO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.25
Rot. Bonds6

About 4-propoxy-6-(pyrrolidin-3-ylmethoxy)pyrimidine

4-propoxy-6-(pyrrolidin-3-ylmethoxy)pyrimidine (PubChem CID 66332799) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-propoxy-6-(pyrrolidin-3-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name4-propoxy-6-(pyrrolidin-3-ylmethoxy)pyrimidine
PubChem CID66332799
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-propoxy-6-(pyrrolidin-3-ylmethoxy)pyrimidine
SMILESCCCOc1cc(OCC2CCNC2)ncn1
InChIInChI=1S/C12H19N3O2/c1-2-5-16-11-6-12(15-9-14-11)17-8-10-3-4-13-7-10/h6,9-10,13H,2-5,7-8H2,1H3
InChIKeySLHHSJDRYJNRFO-UHFFFAOYSA-N
XLogP1.25
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propoxy-6-(pyrrolidin-3-ylmethoxy)pyrimidine?
The IUPAC name of 4-propoxy-6-(pyrrolidin-3-ylmethoxy)pyrimidine (CID 66332799) is 4-propoxy-6-(pyrrolidin-3-ylmethoxy)pyrimidine.
What is the SMILES notation for 4-propoxy-6-(pyrrolidin-3-ylmethoxy)pyrimidine?
The canonical SMILES for 4-propoxy-6-(pyrrolidin-3-ylmethoxy)pyrimidine is CCCOc1cc(OCC2CCNC2)ncn1.
What is the InChIKey of 4-propoxy-6-(pyrrolidin-3-ylmethoxy)pyrimidine?
The InChIKey is SLHHSJDRYJNRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-5-16-11-6-12(15-9-14-11)17-8-10-3-4-13-7-10/h6,9-10,13H,2-5,7-8H2,1H3.
What are the key properties of 4-propoxy-6-(pyrrolidin-3-ylmethoxy)pyrimidine?
4-propoxy-6-(pyrrolidin-3-ylmethoxy)pyrimidine has a molecular weight of 237.30 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-6-(pyrrolidin-3-ylmethoxy)pyrimidine is sourced from PubChem (CID 66332799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).