4-[(5-ethylpyrimidin-2-yl)amino]pyrrolidin-3-ol

C10H16N4O — CID 170079208

IUPAC4-[(5-ethylpyrimidin-2-yl)amino]pyrrolidin-3-ol
SMILESCCc1cnc(NC2CNCC2O)nc1
InChIInChI=1S/C10H16N4O/c1-2-7-3-12-10(13-4-7)14-8-5-11-6-9(8)15/h3-4,8-9,11,15H,2,5-6H2,1H3,(H,12,13,14)
InChIKeyRCPYYTMZBWDRIK-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.22
Rot. Bonds3

About 4-[(5-ethylpyrimidin-2-yl)amino]pyrrolidin-3-ol

4-[(5-ethylpyrimidin-2-yl)amino]pyrrolidin-3-ol (PubChem CID 170079208) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[(5-ethylpyrimidin-2-yl)amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[(5-ethylpyrimidin-2-yl)amino]pyrrolidin-3-ol
PubChem CID170079208
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-[(5-ethylpyrimidin-2-yl)amino]pyrrolidin-3-ol
SMILESCCc1cnc(NC2CNCC2O)nc1
InChIInChI=1S/C10H16N4O/c1-2-7-3-12-10(13-4-7)14-8-5-11-6-9(8)15/h3-4,8-9,11,15H,2,5-6H2,1H3,(H,12,13,14)
InChIKeyRCPYYTMZBWDRIK-UHFFFAOYSA-N
XLogP-0.22
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethylpyrimidin-2-yl)amino]pyrrolidin-3-ol?
The IUPAC name of 4-[(5-ethylpyrimidin-2-yl)amino]pyrrolidin-3-ol (CID 170079208) is 4-[(5-ethylpyrimidin-2-yl)amino]pyrrolidin-3-ol.
What is the SMILES notation for 4-[(5-ethylpyrimidin-2-yl)amino]pyrrolidin-3-ol?
The canonical SMILES for 4-[(5-ethylpyrimidin-2-yl)amino]pyrrolidin-3-ol is CCc1cnc(NC2CNCC2O)nc1.
What is the InChIKey of 4-[(5-ethylpyrimidin-2-yl)amino]pyrrolidin-3-ol?
The InChIKey is RCPYYTMZBWDRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-7-3-12-10(13-4-7)14-8-5-11-6-9(8)15/h3-4,8-9,11,15H,2,5-6H2,1H3,(H,12,13,14).
What are the key properties of 4-[(5-ethylpyrimidin-2-yl)amino]pyrrolidin-3-ol?
4-[(5-ethylpyrimidin-2-yl)amino]pyrrolidin-3-ol has a molecular weight of 208.26 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethylpyrimidin-2-yl)amino]pyrrolidin-3-ol is sourced from PubChem (CID 170079208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).