5-[(3-bromo-2-pyridinyl)oxy]-N-methyl-N-(2-methylpropyl)pyrimidin-2-amine

C14H17BrN4O — CID 170993860

IUPAC5-[(3-bromo-2-pyridinyl)oxy]-N-methyl-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)CN(C)c1ncc(Oc2ncccc2Br)cn1
InChIInChI=1S/C14H17BrN4O/c1-10(2)9-19(3)14-17-7-11(8-18-14)20-13-12(15)5-4-6-16-13/h4-8,10H,9H2,1-3H3
InChIKeyURNPDJVGJTXVIW-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.52
Rot. Bonds5

About 5-[(3-bromo-2-pyridinyl)oxy]-N-methyl-N-(2-methylpropyl)pyrimidin-2-amine

5-[(3-bromo-2-pyridinyl)oxy]-N-methyl-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 170993860) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 5-[(3-bromo-2-pyridinyl)oxy]-N-methyl-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(3-bromo-2-pyridinyl)oxy]-N-methyl-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID170993860
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name5-[(3-bromo-2-pyridinyl)oxy]-N-methyl-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCC(C)CN(C)c1ncc(Oc2ncccc2Br)cn1
InChIInChI=1S/C14H17BrN4O/c1-10(2)9-19(3)14-17-7-11(8-18-14)20-13-12(15)5-4-6-16-13/h4-8,10H,9H2,1-3H3
InChIKeyURNPDJVGJTXVIW-UHFFFAOYSA-N
XLogP3.52
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-[(3-bromo-2-pyridinyl)oxy]-N-methylpyrimidin-2-amine
CID 135246616
N-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 88975209
5-[(3-bromo-2-pyridinyl)oxy]pyridin-2-amine
CID 135246357
N,5-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 130679981
3-bromo-2-(4-methylpentan-2-yloxy)pyridine
CID 61373380
5-[(3-bromo-2-pyridinyl)oxy]-3-methyl-2-(trifluoromethyl)pyridine
CID 135246490
3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine
CID 63462709
3-bromo-2-(4-butylphenoxy)pyridine
CID 115493013
1-[(3-bromo-2-pyridinyl)-methylamino]propan-2-ol
CID 62333548
3-bromo-2-[4-(1,1-difluoroethyl)phenoxy]pyridine
CID 135246459
2-bromo-N-methyl-N-(2-methylpropyl)aniline
CID 11149184
3-bromo-2-(4-chloro-3-ethylphenoxy)pyridine
CID 63462551

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-2-pyridinyl)oxy]-N-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 5-[(3-bromo-2-pyridinyl)oxy]-N-methyl-N-(2-methylpropyl)pyrimidin-2-amine (CID 170993860) is 5-[(3-bromo-2-pyridinyl)oxy]-N-methyl-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[(3-bromo-2-pyridinyl)oxy]-N-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 5-[(3-bromo-2-pyridinyl)oxy]-N-methyl-N-(2-methylpropyl)pyrimidin-2-amine is CC(C)CN(C)c1ncc(Oc2ncccc2Br)cn1.
What is the InChIKey of 5-[(3-bromo-2-pyridinyl)oxy]-N-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is URNPDJVGJTXVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-10(2)9-19(3)14-17-7-11(8-18-14)20-13-12(15)5-4-6-16-13/h4-8,10H,9H2,1-3H3.
What are the key properties of 5-[(3-bromo-2-pyridinyl)oxy]-N-methyl-N-(2-methylpropyl)pyrimidin-2-amine?
5-[(3-bromo-2-pyridinyl)oxy]-N-methyl-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 337.22 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-2-pyridinyl)oxy]-N-methyl-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 170993860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).