1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol

C11H18N4O2 — CID 106674413

IUPAC1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol
SMILESCCNc1nc(C)cc(N2CC(O)C(O)C2)n1
InChIInChI=1S/C11H18N4O2/c1-3-12-11-13-7(2)4-10(14-11)15-5-8(16)9(17)6-15/h4,8-9,16-17H,3,5-6H2,1-2H3,(H,12,13,14)
InChIKeyWOBGQSFKPKNSMW-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.24
Rot. Bonds3

About 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol

1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol (PubChem CID 106674413) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol
PubChem CID106674413
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol
SMILESCCNc1nc(C)cc(N2CC(O)C(O)C2)n1
InChIInChI=1S/C11H18N4O2/c1-3-12-11-13-7(2)4-10(14-11)15-5-8(16)9(17)6-15/h4,8-9,16-17H,3,5-6H2,1-2H3,(H,12,13,14)
InChIKeyWOBGQSFKPKNSMW-UHFFFAOYSA-N
XLogP-0.24
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol (CID 106674413) is 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol is CCNc1nc(C)cc(N2CC(O)C(O)C2)n1.
What is the InChIKey of 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol?
The InChIKey is WOBGQSFKPKNSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-12-11-13-7(2)4-10(14-11)15-5-8(16)9(17)6-15/h4,8-9,16-17H,3,5-6H2,1-2H3,(H,12,13,14).
What are the key properties of 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol?
1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol has a molecular weight of 238.29 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).