2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol

C12H20ClN3O — CID 106251512

IUPAC2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1ncc(Cl)cc1N
InChIInChI=1S/C12H20ClN3O/c1-3-12(4-2,8-17)7-16-11-10(14)5-9(13)6-15-11/h5-6,17H,3-4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyPIOPJQJONZYBEW-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.53
Rot. Bonds6

About 2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol

2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 106251512) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID106251512
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1ncc(Cl)cc1N
InChIInChI=1S/C12H20ClN3O/c1-3-12(4-2,8-17)7-16-11-10(14)5-9(13)6-15-11/h5-6,17H,3-4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyPIOPJQJONZYBEW-UHFFFAOYSA-N
XLogP2.53
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 114165208
N'-(3,5-dichloro-2-pyridinyl)-2,2-diethylpropane-1,3-diamine
CID 106251497
2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106258224
2-[[(5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844439
4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol
CID 106840375
2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 114164166
2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258368
(2S)-2-amino-2-(3-amino-5-chloro-2-pyridinyl)propan-1-ol
CID 130613603
5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 79021487
2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251492
3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol
CID 65102801
1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 66278899

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol (CID 106251512) is 2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1ncc(Cl)cc1N.
What is the InChIKey of 2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is PIOPJQJONZYBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-3-12(4-2,8-17)7-16-11-10(14)5-9(13)6-15-11/h5-6,17H,3-4,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106251512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).