5-(6-bromo-2-pyridinyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine

C17H22BrN3O2 — CID 1024080

IUPAC5-(6-bromo-2-pyridinyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ncc(-c2cccc(Br)n2)c(OC(C)(C)C)n1
InChIInChI=1S/C17H22BrN3O2/c1-16(2,3)22-14-11(12-8-7-9-13(18)20-12)10-19-15(21-14)23-17(4,5)6/h7-10H,1-6H3
InChIKeyQDHVQVPGADBOOV-UHFFFAOYSA-N
MW380.29 g/mol
LogP4.66
Rot. Bonds3

About 5-(6-bromo-2-pyridinyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine

5-(6-bromo-2-pyridinyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine (PubChem CID 1024080) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 5-(6-bromo-2-pyridinyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine.

Molecular Properties

Compound Name5-(6-bromo-2-pyridinyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
PubChem CID1024080
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC Name5-(6-bromo-2-pyridinyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ncc(-c2cccc(Br)n2)c(OC(C)(C)C)n1
InChIInChI=1S/C17H22BrN3O2/c1-16(2,3)22-14-11(12-8-7-9-13(18)20-12)10-19-15(21-14)23-17(4,5)6/h7-10H,1-6H3
InChIKeyQDHVQVPGADBOOV-UHFFFAOYSA-N
XLogP4.66
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(3-bromophenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
CID 10452296
5-[3-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]phenyl]-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
CID 10602107
3-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]aniline
CID 817987
5-(4-methoxyphenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
CID 901695
2-bromo-6-(4-methyl-3-pyridinyl)pyridine
CID 66273601
6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(2,2-difluoropropoxy)imidazo[1,2-b]pyridazine
CID 157032369
2-(6-bromo-2-pyridinyl)aniline
CID 130114519
2-bromo-6-(2-methoxy-3,4-dimethylphenyl)pyridine
CID 103434425
5-methyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine
CID 146435521
3-[6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-8-yl]oxy-2,2-difluoropropan-1-ol
CID 157034441
6-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-8-(3,3-difluoro-2-methylpropoxy)imidazo[1,2-b]pyridazine
CID 166827239
3-(6-bromo-2-pyridinyl)-6-tert-butylimidazo[1,2-a]pyridine
CID 166961933

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-2-pyridinyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The IUPAC name of 5-(6-bromo-2-pyridinyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine (CID 1024080) is 5-(6-bromo-2-pyridinyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine.
What is the SMILES notation for 5-(6-bromo-2-pyridinyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The canonical SMILES for 5-(6-bromo-2-pyridinyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine is CC(C)(C)Oc1ncc(-c2cccc(Br)n2)c(OC(C)(C)C)n1.
What is the InChIKey of 5-(6-bromo-2-pyridinyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The InChIKey is QDHVQVPGADBOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c1-16(2,3)22-14-11(12-8-7-9-13(18)20-12)10-19-15(21-14)23-17(4,5)6/h7-10H,1-6H3.
What are the key properties of 5-(6-bromo-2-pyridinyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
5-(6-bromo-2-pyridinyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine has a molecular weight of 380.29 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-2-pyridinyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine is sourced from PubChem (CID 1024080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).