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

C12H21N5O2 — CID 67400758

IUPAC1-[5-amino-6-(2-aminoethylamino)-3-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESNCCNc1ncc(N2CC(O)CC2CO)cc1N
InChIInChI=1S/C12H21N5O2/c13-1-2-15-12-11(14)4-8(5-16-12)17-6-10(19)3-9(17)7-18/h4-5,9-10,18-19H,1-3,6-7,13-14H2,(H,15,16)
InChIKeyKYZQMFAAQPCVJL-UHFFFAOYSA-N
MW267.33 g/mol
LogP-1.03
Rot. Bonds5

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

1-[5-amino-6-(2-aminoethylamino)-3-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 67400758) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[5-amino-6-(2-aminoethylamino)-3-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-amino-6-(2-aminoethylamino)-3-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID67400758
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name1-[5-amino-6-(2-aminoethylamino)-3-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol
SMILESNCCNc1ncc(N2CC(O)CC2CO)cc1N
InChIInChI=1S/C12H21N5O2/c13-1-2-15-12-11(14)4-8(5-16-12)17-6-10(19)3-9(17)7-18/h4-5,9-10,18-19H,1-3,6-7,13-14H2,(H,15,16)
InChIKeyKYZQMFAAQPCVJL-UHFFFAOYSA-N
XLogP-1.03
TPSA120.66 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-1.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-6-(2-aminoethylamino)-3-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[5-amino-6-(2-aminoethylamino)-3-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol (CID 67400758) is 1-[5-amino-6-(2-aminoethylamino)-3-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[5-amino-6-(2-aminoethylamino)-3-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[5-amino-6-(2-aminoethylamino)-3-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol is NCCNc1ncc(N2CC(O)CC2CO)cc1N.
What is the InChIKey of 1-[5-amino-6-(2-aminoethylamino)-3-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is KYZQMFAAQPCVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c13-1-2-15-12-11(14)4-8(5-16-12)17-6-10(19)3-9(17)7-18/h4-5,9-10,18-19H,1-3,6-7,13-14H2,(H,15,16).
What are the key properties of 1-[5-amino-6-(2-aminoethylamino)-3-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol?
1-[5-amino-6-(2-aminoethylamino)-3-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 267.33 g/mol, XLogP of -1.03, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-6-(2-aminoethylamino)-3-pyridinyl]-5-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 67400758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).