3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol

C11H18ClN3O — CID 115473977

IUPAC3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1nc(Cl)ccc1N
InChIInChI=1S/C11H18ClN3O/c1-8(2)15(6-3-7-16)11-9(13)4-5-10(12)14-11/h4-5,8,16H,3,6-7,13H2,1-2H3
InChIKeyWEVLMRPTTJSBLJ-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.91
Rot. Bonds5

About 3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol

3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol (PubChem CID 115473977) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
PubChem CID115473977
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(CCCO)c1nc(Cl)ccc1N
InChIInChI=1S/C11H18ClN3O/c1-8(2)15(6-3-7-16)11-9(13)4-5-10(12)14-11/h4-5,8,16H,3,6-7,13H2,1-2H3
InChIKeyWEVLMRPTTJSBLJ-UHFFFAOYSA-N
XLogP1.91
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol
CID 107197978
2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine
CID 115473540
2-[(3-amino-6-chloro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 115473782
3-[(2-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 80811126
6-chloro-2-N,2-N-bis(2-methylpropyl)pyridine-2,3-diamine
CID 113316760
3-[(6-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 80811427
3-[(2,6-dichloro-3-pyridinyl)methyl-propan-2-ylamino]propan-1-ol
CID 106993640
3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 103582964
3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 63729486
6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine
CID 115474337
3-(4-amino-N-propan-2-yl-3-propan-2-yloxyanilino)propan-1-ol
CID 83002102
3-[3-hydroxypropyl(propan-2-yl)amino]pyrazine-2-carbothioamide
CID 62684968

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol (CID 115473977) is 3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol is CC(C)N(CCCO)c1nc(Cl)ccc1N.
What is the InChIKey of 3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
The InChIKey is WEVLMRPTTJSBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-8(2)15(6-3-7-16)11-9(13)4-5-10(12)14-11/h4-5,8,16H,3,6-7,13H2,1-2H3.
What are the key properties of 3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol?
3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol has a molecular weight of 243.74 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-6-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 115473977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).