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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Related Compounds

1-(3-Aminopyridin-2-yl)piperidin-4-ol
CID 16796136
(S)-(-)-N-(5-Nitro-2-pyridyl)prolinol
CID 44630404
2-[(3-Aminopyridin-2-yl)amino]ethan-1-ol
CID 15718762
1-(5-Aminopyridin-2-yl)piperidin-4-ol
CID 16781994
[1-[6-(Pyridin-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 71933069
[1-[6-[2-(Pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144665
1-(1-Hydroxybutan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47221122
((2S,4R)-4-(dimethylamino)-1-{[2-(methylamino)pyridin-3-yl]methyl}pyrrolidin-2-yl)methanol
CID 50968354
trans-(1R,2R)-2-[(6-imidazol-1-yl-2-pyridinyl)amino]cycloheptan-1-ol
CID 137863321
(3R)-1-(5-amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol
CID 118878107
1-(5-Amino-3-fluoro-2-pyridinyl)pyrrolidin-3-ol
CID 118878110
(S)-1-(5-Amino-3-fluoropyridin-2-yl)pyrrolidin-3-ol
CID 118878185

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).