3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol

C10H16ClN3O2 — CID 106153927

IUPAC3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)Nc1ncc(N)cc1Cl
InChIInChI=1S/C10H16ClN3O2/c1-16-6-8(2-3-15)14-10-9(11)4-7(12)5-13-10/h4-5,8,15H,2-3,6,12H2,1H3,(H,13,14)
InChIKeyMSPDBDMVBHCZOQ-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.13
Rot. Bonds6

About 3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol

3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol (PubChem CID 106153927) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol
PubChem CID106153927
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)Nc1ncc(N)cc1Cl
InChIInChI=1S/C10H16ClN3O2/c1-16-6-8(2-3-15)14-10-9(11)4-7(12)5-13-10/h4-5,8,15H,2-3,6,12H2,1H3,(H,13,14)
InChIKeyMSPDBDMVBHCZOQ-UHFFFAOYSA-N
XLogP1.13
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol with MolForge

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Related Compounds

3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 106157779
5-bromo-3-chloro-N-(1-methoxypentan-2-yl)pyridin-2-amine
CID 103582537
3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine
CID 79535461
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]amino]-4-methoxybutan-1-ol
CID 106163074
2-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198768
3-chloro-2-N-propan-2-ylpyridine-2,5-diamine
CID 82468511
3-[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 114150856
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 114152252
3-chloro-2-N-methylpyridine-2,5-diamine
CID 23112230
2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184186
5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151930
3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106162707

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol (CID 106153927) is 3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol is COCC(CCO)Nc1ncc(N)cc1Cl.
What is the InChIKey of 3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol?
The InChIKey is MSPDBDMVBHCZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-16-6-8(2-3-15)14-10-9(11)4-7(12)5-13-10/h4-5,8,15H,2-3,6,12H2,1H3,(H,13,14).
What are the key properties of 3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol?
3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol has a molecular weight of 245.71 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-3-chloro-2-pyridinyl)amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 106153927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).