1-[(3-amino-6-chloro-4-methyl-2-pyridinyl)amino]-2-cyclopropylpropan-1-ol

C12H18ClN3O — CID 178124685

IUPAC1-[(3-amino-6-chloro-4-methyl-2-pyridinyl)amino]-2-cyclopropylpropan-1-ol
SMILESCc1cc(Cl)nc(NC(O)C(C)C2CC2)c1N
InChIInChI=1S/C12H18ClN3O/c1-6-5-9(13)15-11(10(6)14)16-12(17)7(2)8-3-4-8/h5,7-8,12,17H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyNSWBYLMLIMYRNQ-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.40
Rot. Bonds4

About 1-[(3-amino-6-chloro-4-methyl-2-pyridinyl)amino]-2-cyclopropylpropan-1-ol

1-[(3-amino-6-chloro-4-methyl-2-pyridinyl)amino]-2-cyclopropylpropan-1-ol (PubChem CID 178124685) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-[(3-amino-6-chloro-4-methyl-2-pyridinyl)amino]-2-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name1-[(3-amino-6-chloro-4-methyl-2-pyridinyl)amino]-2-cyclopropylpropan-1-ol
PubChem CID178124685
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name1-[(3-amino-6-chloro-4-methyl-2-pyridinyl)amino]-2-cyclopropylpropan-1-ol
SMILESCc1cc(Cl)nc(NC(O)C(C)C2CC2)c1N
InChIInChI=1S/C12H18ClN3O/c1-6-5-9(13)15-11(10(6)14)16-12(17)7(2)8-3-4-8/h5,7-8,12,17H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyNSWBYLMLIMYRNQ-UHFFFAOYSA-N
XLogP2.40
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-6-chloro-4-methyl-2-pyridinyl)amino]-2-cyclopropylpropan-1-ol?
The IUPAC name of 1-[(3-amino-6-chloro-4-methyl-2-pyridinyl)amino]-2-cyclopropylpropan-1-ol (CID 178124685) is 1-[(3-amino-6-chloro-4-methyl-2-pyridinyl)amino]-2-cyclopropylpropan-1-ol.
What is the SMILES notation for 1-[(3-amino-6-chloro-4-methyl-2-pyridinyl)amino]-2-cyclopropylpropan-1-ol?
The canonical SMILES for 1-[(3-amino-6-chloro-4-methyl-2-pyridinyl)amino]-2-cyclopropylpropan-1-ol is Cc1cc(Cl)nc(NC(O)C(C)C2CC2)c1N.
What is the InChIKey of 1-[(3-amino-6-chloro-4-methyl-2-pyridinyl)amino]-2-cyclopropylpropan-1-ol?
The InChIKey is NSWBYLMLIMYRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-6-5-9(13)15-11(10(6)14)16-12(17)7(2)8-3-4-8/h5,7-8,12,17H,3-4,14H2,1-2H3,(H,15,16).
What are the key properties of 1-[(3-amino-6-chloro-4-methyl-2-pyridinyl)amino]-2-cyclopropylpropan-1-ol?
1-[(3-amino-6-chloro-4-methyl-2-pyridinyl)amino]-2-cyclopropylpropan-1-ol has a molecular weight of 255.75 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-6-chloro-4-methyl-2-pyridinyl)amino]-2-cyclopropylpropan-1-ol is sourced from PubChem (CID 178124685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).