1-(3,5-diamino-2-pyridinyl)-2-(hydroxymethyl)pyrrolidin-3-ol

C10H16N4O2 — CID 23064310

IUPAC1-(3,5-diamino-2-pyridinyl)-2-(hydroxymethyl)pyrrolidin-3-ol
SMILESNc1cnc(N2CCC(O)C2CO)c(N)c1
InChIInChI=1S/C10H16N4O2/c11-6-3-7(12)10(13-4-6)14-2-1-9(16)8(14)5-15/h3-4,8-9,15-16H,1-2,5,11-12H2
InChIKeyJRIXLLKDMDZNFR-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.82
Rot. Bonds2

About 1-(3,5-diamino-2-pyridinyl)-2-(hydroxymethyl)pyrrolidin-3-ol

1-(3,5-diamino-2-pyridinyl)-2-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 23064310) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(3,5-diamino-2-pyridinyl)-2-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3,5-diamino-2-pyridinyl)-2-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID23064310
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-(3,5-diamino-2-pyridinyl)-2-(hydroxymethyl)pyrrolidin-3-ol
SMILESNc1cnc(N2CCC(O)C2CO)c(N)c1
InChIInChI=1S/C10H16N4O2/c11-6-3-7(12)10(13-4-6)14-2-1-9(16)8(14)5-15/h3-4,8-9,15-16H,1-2,5,11-12H2
InChIKeyJRIXLLKDMDZNFR-UHFFFAOYSA-N
XLogP-0.82
TPSA108.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diamino-2-pyridinyl)-2-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(3,5-diamino-2-pyridinyl)-2-(hydroxymethyl)pyrrolidin-3-ol (CID 23064310) is 1-(3,5-diamino-2-pyridinyl)-2-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(3,5-diamino-2-pyridinyl)-2-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(3,5-diamino-2-pyridinyl)-2-(hydroxymethyl)pyrrolidin-3-ol is Nc1cnc(N2CCC(O)C2CO)c(N)c1.
What is the InChIKey of 1-(3,5-diamino-2-pyridinyl)-2-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is JRIXLLKDMDZNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-6-3-7(12)10(13-4-6)14-2-1-9(16)8(14)5-15/h3-4,8-9,15-16H,1-2,5,11-12H2.
What are the key properties of 1-(3,5-diamino-2-pyridinyl)-2-(hydroxymethyl)pyrrolidin-3-ol?
1-(3,5-diamino-2-pyridinyl)-2-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 224.26 g/mol, XLogP of -0.82, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diamino-2-pyridinyl)-2-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 23064310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).