5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol

C11H18ClN3O — CID 104925080

IUPAC5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNc1cc(N)cc(Cl)n1
InChIInChI=1S/C11H18ClN3O/c1-8(7-16)3-2-4-14-11-6-9(13)5-10(12)15-11/h5-6,8,16H,2-4,7H2,1H3,(H3,13,14,15)
InChIKeyTWSUYVHACSSWCH-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.14
Rot. Bonds6

About 5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol

5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol (PubChem CID 104925080) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol
PubChem CID104925080
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNc1cc(N)cc(Cl)n1
InChIInChI=1S/C11H18ClN3O/c1-8(7-16)3-2-4-14-11-6-9(13)5-10(12)15-11/h5-6,8,16H,2-4,7H2,1H3,(H3,13,14,15)
InChIKeyTWSUYVHACSSWCH-UHFFFAOYSA-N
XLogP2.14
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 103858567
5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162556
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106162537
5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162555
6-chloro-2-N-(4-methoxybutyl)pyridine-2,4-diamine
CID 104923902
(2S)-1-[(4-amino-6-chloro-2-pyridinyl)amino]propan-2-ol
CID 126987917
6-chloro-2-N-(3-methylsulfonylpropyl)pyridine-2,4-diamine
CID 102809402
3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
CID 104924371
(3S)-3-[(4-amino-6-chloro-2-pyridinyl)amino]butan-1-ol
CID 126987059
5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162981
5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 107269286
5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106163373

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol (CID 104925080) is 5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol is CC(CO)CCCNc1cc(N)cc(Cl)n1.
What is the InChIKey of 5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol?
The InChIKey is TWSUYVHACSSWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-8(7-16)3-2-4-14-11-6-9(13)5-10(12)15-11/h5-6,8,16H,2-4,7H2,1H3,(H3,13,14,15).
What are the key properties of 5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol?
5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol has a molecular weight of 243.74 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 104925080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).