5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine

C10H13BrN2O3 — CID 106999301

IUPAC5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine
SMILESCOc1nc(OCC2CCOC2)ncc1Br
InChIInChI=1S/C10H13BrN2O3/c1-14-9-8(11)4-12-10(13-9)16-6-7-2-3-15-5-7/h4,7H,2-3,5-6H2,1H3
InChIKeyPEIZXWKHWHUEJI-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.66
Rot. Bonds4

About 5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine

5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine (PubChem CID 106999301) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine
PubChem CID106999301
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine
SMILESCOc1nc(OCC2CCOC2)ncc1Br
InChIInChI=1S/C10H13BrN2O3/c1-14-9-8(11)4-12-10(13-9)16-6-7-2-3-15-5-7/h4,7H,2-3,5-6H2,1H3
InChIKeyPEIZXWKHWHUEJI-UHFFFAOYSA-N
XLogP1.66
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine
CID 818851
5-Bromo-4-methoxypyrimidine
CID 12270081
5-Bromo-2,4-dimethoxypyrimidine
CID 255719
5-Bromo-2-chloro-4-methoxypyrimidine
CID 3663143
2-Amino-5-bromo-4-methoxypyrimidine
CID 45036937
5-Bromo-2-chloro-4-(propan-2-yloxy)pyrimidine
CID 79076021
5-Bromo-4-cyclobutoxypyrimidin-2-amine
CID 80872179
5-Bromo-2,4-diethoxypyrimidine
CID 14776516
5-Bromo-2,4-di(isopropoxy)pyrimidine
CID 67514127
2,4-Di(n-butoxy)-5-fluoropyrimidine
CID 13061613
5-Bromo-2,4-bis-(4,4,4-trifluorobutoxy)pyrimidine
CID 21114627

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine?
The IUPAC name of 5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine (CID 106999301) is 5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine.
What is the SMILES notation for 5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine?
The canonical SMILES for 5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine is COc1nc(OCC2CCOC2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine?
The InChIKey is PEIZXWKHWHUEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-14-9-8(11)4-12-10(13-9)16-6-7-2-3-15-5-7/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine?
5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine has a molecular weight of 289.13 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine is sourced from PubChem (CID 106999301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).