(1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol

C8H14N4O — CID 131010797

IUPAC(1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol
SMILESC[C@H](N)[C@@H](O)c1cnc(N)c(N)c1
InChIInChI=1S/C8H14N4O/c1-4(9)7(13)5-2-6(10)8(11)12-3-5/h2-4,7,13H,9-10H2,1H3,(H2,11,12)/t4-,7+/m0/s1
InChIKeyMKGUNCYYTCXTMG-MHTLYPKNSA-N
MW182.23 g/mol
LogP-0.37
Rot. Bonds2

About (1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol

(1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol (PubChem CID 131010797) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is (1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol
PubChem CID131010797
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name(1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol
SMILESC[C@H](N)[C@@H](O)c1cnc(N)c(N)c1
InChIInChI=1S/C8H14N4O/c1-4(9)7(13)5-2-6(10)8(11)12-3-5/h2-4,7,13H,9-10H2,1H3,(H2,11,12)/t4-,7+/m0/s1
InChIKeyMKGUNCYYTCXTMG-MHTLYPKNSA-N
XLogP-0.37
TPSA111.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol
CID 131124378
5-[(1S)-1,2-diaminoethyl]pyridine-2,3-diamine
CID 130738641
2-amino-1-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)propan-1-ol
CID 84675057
(1S,2R)-1-amino-1-(5-amino-6-chloro-3-pyridinyl)propan-2-ol
CID 130706086
1-amino-1-(5-amino-6-fluoro-3-pyridinyl)propan-2-ol
CID 55270474
1-(5-amino-6-methyl-3-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171873753
(1R,2R)-2-amino-1-(6-amino-4-methyl-3-pyridinyl)propan-1-ol
CID 130884546
(1S,2R)-2-amino-1-(2-methyl-4-pyridinyl)propan-1-ol
CID 96740451
1-(5-amino-6-methyl-3-pyridinyl)-3-chloropropane-1,2-diol
CID 171861696
5,6-diaminopyridin-3-ol
CID 67350083
5-[(1R)-1-aminoethyl]-3-bromopyridin-2-amine
CID 130766270
5-(1-aminoethyl)-2-fluoropyridin-3-amine
CID 55293983

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol?
The IUPAC name of (1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol (CID 131010797) is (1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol.
What is the SMILES notation for (1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol?
The canonical SMILES for (1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol is C[C@H](N)[C@@H](O)c1cnc(N)c(N)c1.
What is the InChIKey of (1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol?
The InChIKey is MKGUNCYYTCXTMG-MHTLYPKNSA-N. The full InChI is InChI=1S/C8H14N4O/c1-4(9)7(13)5-2-6(10)8(11)12-3-5/h2-4,7,13H,9-10H2,1H3,(H2,11,12)/t4-,7+/m0/s1.
What are the key properties of (1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol?
(1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol has a molecular weight of 182.23 g/mol, XLogP of -0.37, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-amino-1-(5,6-diamino-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 131010797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).