1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol

C11H17N3O2 — CID 126848388

IUPAC1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCOCc1cc(N2CCC(O)C2)ncn1
InChIInChI=1S/C11H17N3O2/c1-2-16-7-9-5-11(13-8-12-9)14-4-3-10(15)6-14/h5,8,10,15H,2-4,6-7H2,1H3
InChIKeyYGVNEEXWDNZMQZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.58
Rot. Bonds4

About 1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol

1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 126848388) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID126848388
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCCOCc1cc(N2CCC(O)C2)ncn1
InChIInChI=1S/C11H17N3O2/c1-2-16-7-9-5-11(13-8-12-9)14-4-3-10(15)6-14/h5,8,10,15H,2-4,6-7H2,1H3
InChIKeyYGVNEEXWDNZMQZ-UHFFFAOYSA-N
XLogP0.58
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol (CID 126848388) is 1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol is CCOCc1cc(N2CCC(O)C2)ncn1.
What is the InChIKey of 1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is YGVNEEXWDNZMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-16-7-9-5-11(13-8-12-9)14-4-3-10(15)6-14/h5,8,10,15H,2-4,6-7H2,1H3.
What are the key properties of 1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol?
1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 223.28 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 126848388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).