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

C12H19BrN2O — CID 106144830

IUPAC4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
SMILESCc1cnc(NCC(C)(C)CCO)c(Br)c1
InChIInChI=1S/C12H19BrN2O/c1-9-6-10(13)11(14-7-9)15-8-12(2,3)4-5-16/h6-7,16H,4-5,8H2,1-3H3,(H,14,15)
InChIKeySJUKDGYYUANJDM-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.97
Rot. Bonds5

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

4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 106144830) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
PubChem CID106144830
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
SMILESCc1cnc(NCC(C)(C)CCO)c(Br)c1
InChIInChI=1S/C12H19BrN2O/c1-9-6-10(13)11(14-7-9)15-8-12(2,3)4-5-16/h6-7,16H,4-5,8H2,1-3H3,(H,14,15)
InChIKeySJUKDGYYUANJDM-UHFFFAOYSA-N
XLogP2.97
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine
CID 103462640
4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106140711
4-[(3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106144661
2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 105366900
3-bromo-N-(2-bromoprop-2-enyl)-5-methylpyridin-2-amine
CID 105367126
3,5-dibromo-N-(5-chloro-2,2-dimethylpentyl)pyridin-2-amine
CID 106141963
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107866243
3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine
CID 105367125
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 105367068
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698
3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943
4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149781

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol (CID 106144830) is 4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol is Cc1cnc(NCC(C)(C)CCO)c(Br)c1.
What is the InChIKey of 4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is SJUKDGYYUANJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-9-6-10(13)11(14-7-9)15-8-12(2,3)4-5-16/h6-7,16H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of 4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol?
4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 287.20 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106144830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).