(1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol

C10H17N3O — CID 131014604

IUPAC(1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](N)[C@@H](O)c1cncc(N)c1
InChIInChI=1S/C10H17N3O/c1-6(2)9(12)10(14)7-3-8(11)5-13-4-7/h3-6,9-10,14H,11-12H2,1-2H3/t9-,10+/m1/s1
InChIKeyQNCPBQHOGPWCQO-ZJUUUORDSA-N
MW195.27 g/mol
LogP0.68
Rot. Bonds3

About (1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol

(1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol (PubChem CID 131014604) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol
PubChem CID131014604
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol
SMILESCC(C)[C@@H](N)[C@@H](O)c1cncc(N)c1
InChIInChI=1S/C10H17N3O/c1-6(2)9(12)10(14)7-3-8(11)5-13-4-7/h3-6,9-10,14H,11-12H2,1-2H3/t9-,10+/m1/s1
InChIKeyQNCPBQHOGPWCQO-ZJUUUORDSA-N
XLogP0.68
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-2-amino-1-(5-chloro-3-pyridinyl)-3-methylbutan-1-ol
CID 131191100
5-[(1R)-1-aminoethyl]pyridin-3-amine
CID 55275207
(1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol
CID 55291623
5-[(2R)-3-methylbut-3-en-2-yl]pyridin-3-amine
CID 176664173
3-(5-amino-3-pyridinyl)-2,3-dihydroxypropanamide
CID 171867613
5-(1-amino-2,2,2-trifluoroethyl)pyridin-3-amine
CID 55270823
5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine
CID 55274382
(1S)-1-[5-[5-[(1S)-1-hydroxy-2-methylpropyl]-3-pyridinyl]-3-pyridinyl]-2-methylpropan-1-ol
CID 11335596
3-amino-3-(5-amino-3-pyridinyl)propan-1-ol
CID 55292622
(1S,2S)-2-amino-1-(2-chloro-4-pyridinyl)-3-methylbutan-1-ol
CID 130970930
5-[amino(cyclopropyl)methyl]pyridin-3-amine
CID 55292052
2-amino-3-methyl-1-(1,3-oxazol-5-yl)butan-1-ol
CID 82412434

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol?
The IUPAC name of (1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol (CID 131014604) is (1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol?
The canonical SMILES for (1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol is CC(C)[C@@H](N)[C@@H](O)c1cncc(N)c1.
What is the InChIKey of (1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol?
The InChIKey is QNCPBQHOGPWCQO-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6(2)9(12)10(14)7-3-8(11)5-13-4-7/h3-6,9-10,14H,11-12H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol?
(1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol is sourced from PubChem (CID 131014604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).