4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol

C11H18BrN3O — CID 106140711

IUPAC4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNc1ncc(N)cc1Br
InChIInChI=1S/C11H18BrN3O/c1-11(2,3-4-16)7-15-10-9(12)5-8(13)6-14-10/h5-6,16H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeySMPNEBRDEBTRQN-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.25
Rot. Bonds5

About 4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol

4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 106140711) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
PubChem CID106140711
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNc1ncc(N)cc1Br
InChIInChI=1S/C11H18BrN3O/c1-11(2,3-4-16)7-15-10-9(12)5-8(13)6-14-10/h5-6,16H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeySMPNEBRDEBTRQN-UHFFFAOYSA-N
XLogP2.25
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106144830
3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine
CID 79532457
3-bromo-2-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-2,5-diamine
CID 79531860
4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106144661
4-[(5-amino-3-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106149745
2-[(5-amino-3-bromo-2-pyridinyl)amino]-2-ethylbutan-1-ol
CID 79534553
N-(3-bromo-5-chloro-2-pyridinyl)-2,2-dimethylpentane-1,5-diamine
CID 106142695
3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113765
4-[(2-amino-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149824
3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine
CID 106141963
3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 80525947
N-(5-amino-3-bromo-2-pyridinyl)-4,4-dimethylpentanamide
CID 114212725

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol (CID 106140711) is 4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNc1ncc(N)cc1Br.
What is the InChIKey of 4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is SMPNEBRDEBTRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-11(2,3-4-16)7-15-10-9(12)5-8(13)6-14-10/h5-6,16H,3-4,7,13H2,1-2H3,(H,14,15).
What are the key properties of 4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol?
4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 288.19 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106140711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).