1-[5-amino-6-(methylamino)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol

C11H18N4O2 — CID 22598830

IUPAC1-[5-amino-6-(methylamino)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESCNc1nc(N2CC(O)CC2CO)ccc1N
InChIInChI=1S/C11H18N4O2/c1-13-11-9(12)2-3-10(14-11)15-5-8(17)4-7(15)6-16/h2-3,7-8,16-17H,4-6,12H2,1H3,(H,13,14)
InChIKeyCEXXFCKMHGWHGH-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.36
Rot. Bonds3

About 1-[5-amino-6-(methylamino)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol

1-[5-amino-6-(methylamino)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 22598830) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[5-amino-6-(methylamino)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-amino-6-(methylamino)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID22598830
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-[5-amino-6-(methylamino)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESCNc1nc(N2CC(O)CC2CO)ccc1N
InChIInChI=1S/C11H18N4O2/c1-13-11-9(12)2-3-10(14-11)15-5-8(17)4-7(15)6-16/h2-3,7-8,16-17H,4-6,12H2,1H3,(H,13,14)
InChIKeyCEXXFCKMHGWHGH-UHFFFAOYSA-N
XLogP-0.36
TPSA94.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-6-(methylamino)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[5-amino-6-(methylamino)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol (CID 22598830) is 1-[5-amino-6-(methylamino)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[5-amino-6-(methylamino)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[5-amino-6-(methylamino)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol is CNc1nc(N2CC(O)CC2CO)ccc1N.
What is the InChIKey of 1-[5-amino-6-(methylamino)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is CEXXFCKMHGWHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-13-11-9(12)2-3-10(14-11)15-5-8(17)4-7(15)6-16/h2-3,7-8,16-17H,4-6,12H2,1H3,(H,13,14).
What are the key properties of 1-[5-amino-6-(methylamino)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
1-[5-amino-6-(methylamino)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 238.29 g/mol, XLogP of -0.36, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-6-(methylamino)-2-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 22598830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).